HR job title
- Retired Professor
- Contact Info
- 1 979 845 3436
Yeager, Danny Professor
Positions
- Professor, Chemistry, College of Arts and Sciences
Our research in theoretical chemistry is currently focused in the development and study of new methods for electronic structure and for molecular ionization.
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Overview
Publications
selected publications
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academic article
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Samanta, K., Tsogbayar, T., Zhang, S. B., & Yeager, D. L.
(2018).
Electron-Atom and Electron-Molecule Resonances: Some Theoretical Approaches Using Complex Scaled Multiconfigurational Methods. Advances in Quantum Chemistry.
77, 317-390.
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Tsednee, T., & Yeager, D. L.
(2017).
A numerical Hartree self-consistent field calculation of an autoionization resonance parameters for a doubly excited 2s(2), 3s(2), and 4s(2) states of He atom with a complex absorbing potential. Chinese Physics B.
26(8), 083101-083101.
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Tsogbayar, T., & Yeager, D. L.
(2017).
The complex-scaled multiconfigurational spin-tensor electron propagator method for low-lying shape resonances in Be-, Mg- and Ca-. Chemical Physics.
482, 201-207.
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Tsednee, T., & Yeager, D. L.
(2015).
Electron-atom scattering resonances: Complex-scaled multiconfigurational spin-tensor electron propagator method for B(-)shape resonances. Physical Review A: Atomic, Molecular and Optical Physics.
91(6), 063405.
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Tsednee, T., Liang, L., & Yeager, D. L.
(2015).
Electron-atom resonances: The complex-scaled multiconfigurational spin-tensor electron propagator method for the P-2 Be- shape resonance problem. Physical Review A: Atomic, Molecular and Optical Physics.
91(2), 022506.
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Liang, L., & Yeager, D. L.
(2014).
The complex scaled multiconfigurational time-dependent Hartree-Fock method for studying resonant states: application to the 2s2 He Feshbach resonance. Journal of Chemical Physics.
140(9), 094305-094305.
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Samanta, K., & Yeager, D. L.
(2012).
COMPLEX MULTICONFIGURATIONAL SELF-CONSISTENT FIELD-BASED METHODS TO INVESTIGATE ELECTRON-ATOM/MOLECULE SCATTERING RESONANCES. Advances in Chemical Physics.
150, 103-142.
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Zhang, S. B., & Yeager, D. L.
(2012).
Inner shells do not cause grave difficulties in resonance studies for atoms with the direct complex-coordinate method. Physical Review A: Atomic, Molecular and Optical Physics.
85(5), 054502.
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Zhang, S. B., & Yeager, D. L.
(2012).
Complex-scaled multireference configuration-interaction method to study Be and Be-like cations' (B, C, N, O, Mg) Auger resonances 1s2s(2)2p P-1,3(o). Physical Review A: Atomic, Molecular and Optical Physics.
85(3), 032515.
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Zhang, S. B., & Yeager, D. L.
(2012).
A complex scaled multi-reference configuration interaction method to study Li and Li-like cations (Be, B, C, N, O) Auger resonances 1s2s(2) S-2 and 1s(2s2p P-3(o)) P-2(o). JOURNAL OF MOLECULAR STRUCTURE.
1023, 96-100.
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Zhang, S. B., & Yeager, D. L.
(2012).
A complex scaled multiconfigurational time-dependent Hartree-Fock method for studying resonant states. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
110(9-10), 663-667.
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Samanta, K., & Yeager, D. L.
(2010).
Obtaining Positions and Widths of Scattering Resonances from a Complex Multi configurational Self-Consistent Field State Using the M-1 Method. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
110(4), 798-812.
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Ma, D., & Yeager, D. L.
(2008).
Equivalent orbitals for multiconfigurational spin-tensor electron propagator method (MCSTEP): The vertical ionization potentials of B, NO, CF, and OF. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
108(6), 1130-1136.
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Samanta, K., & Yeager, D. L.
(2008).
Investigation of 2P Be- shape resonances using a quadratically convergent complex multiconfigurational self-consistent field method. Journal of Physical Chemistry B.
112(50), 16214-16219.
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Ma, D., & Yeager, D. L.
(2008).
Approximate MCSCF optimization for multi configurational spin-tensor electron propagator method (MCSTEP): The vertical ionization potentials of CO, HCN, HNC, H2CO, and O-3. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
108(1), 100-111.
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Saha, R., Ma, D., & Yeager, D. L.
(2007).
Modification of optimal complete active space choices for the multiconfigurational spin-tensor electron propagator method for ionization potentials. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
107(3), 694-702.
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Yeager, D. L., & Mishra, M. K.
(2005).
Algebraic modifications to second quantization for non-Hermitian complex scaled Hamiltonians with application to a quadratically convergent multiconfigurational self-consistent field method. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
104(6), 871-879.
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Thgersen, L., Olsen, J., Yeager, D., Jrgensen, P., Saek, P., & Helgaker, T.
(2004).
The trust-region self-consistent field method: towards a black-box optimization in Hartree-Fock and Kohn-Sham theories. Journal of Chemical Physics.
121(1), 16-27.
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Mahalakshmi, S., & Yeager, D. L.
(2003).
The determination of low lying ionization potentials of BN, BN+ and B2N and photodetachment energies of BN- and B2N- using the multiconfigurational spin tensor electron propagator method. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
101(1-2), 165-174.
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Heryadi, D., Mahalakshmi, S., & Yeager, D. L.
(2002).
The direct determination of the ionization potentials of CH and CH3 using the electron propagator method with a multiconfigurational second-order perturbation theory wavefunction as the initial state (EPCASPT2). CHEMICAL PHYSICS LETTERS.
351(1-2), 92-98.
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Heryadi, D., & Yeager, D. L.
(2001).
Electron propagator method with a multiconfigurational second-order perturbation theory wave function as the initial state in the fermion operator block. Journal of Chemical Physics.
114(12), 5124-5136.
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Hald, K., Hattig, C., Yeager, D. L., & Jorgensen, P.
(2000).
Linear response CC2 triplet excitation energies. CHEMICAL PHYSICS LETTERS.
328(3), 291-301.
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Malcolm, N., & Yeager, D. L.
(2000).
Purely theoretical electron-impact ionization cross-sections of silicon hydrides and silicon fluorides obtained from explicitly correlated methods. Journal of Chemical Physics.
113(1), 8-17.
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Heryadi, D., & Yeager, D. L.
(2000).
Resolving the controversy over the second ionization potential of the nitrate free radical NO3. Journal of Chemical Physics.
112(10), 4572-4578.
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McKellar, A. J., Heryadi, D., Yeager, D. L., & Nichols, J. A.
(1998).
Complete basis set limit ionization potentials of O-3 and NO2 using the multiconfigurational spin tensor electron propagator method (MCSTEP). Chemical Physics.
238(1), 1-9.
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Heryadi, D., Jones, C. T., & Yeager, D. L.
(1997).
A small optimal complete active space (CAS) for multiconfigurational spin tensor electron propagator method (MCSTEP) ionization potentials: Application to methane, acetylene, ethylene, and ethane. Journal of Chemical Physics.
107(13), 5088-5093.
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Zakrzewski, V. G., Ortiz, J. V., Nichols, J. A., Heryadi, D., Yeager, D. L., & Golab, J. T.
(1996).
Comparison of perturbative and multiconfigurational electron propagator methods. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
60(1), 29-36.
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Yeager, D. L.
(1996).
Accurate vertical ionization potentials of CH2, NH2, and H2O using the multiconfigurational spin tensor electron propagator method (MCSTEP). Journal of Chemical Physics.
105(18), 8170-8177.
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McKellar, A. J., Yeager, D. L., Nichols, J. A., & Golab, J. T.
(1996).
Low-lying ionization potentials of O-3 and NO2 using the multiconfigurational spin tensor electron propagator method. Journal of Chemical Physics.
105(22), 9927-9932.
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HERYADI, D., YEAGER, D. L., GOLAB, J. T., & NICHOLS, J. A.
(1995).
THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) - COMPARISON WITH EXTENDED KOOPMANS THEOREM RESULTS. Theoretica chimica acta.
90(5-6), 273-290.
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HERYADI, D., YEAGER, D. L., GOLAB, J. T., & NICHOLS, J. A.
(1995).
MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR VERTICAL IONIZATION-POTENTIALS FOR O-2 - COMPARISON TO SOME OTHER FOREFRONT METHODS USING THE SAME BASIS-SETS AND GEOMETRIES. Journal of Chemical Physics.
102(23), 9444-9445.
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Yeager, D. L., Nichols, J. A., & Golab, J. T.
(1994).
The potential energy curves of theX2g,a4u,A2u,b4g,B2g,2u, andc4ustates of O+2obtained using the multiconfigurational spin tensor electron propagator method. Journal of Chemical Physics.
100(9), 6514-6519.
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NICHOLS, J. A., HERYADI, D., YEAGER, D. L., & GOLAB, J. T.
(1994).
IONIZATION-POTENTIALS OF CH2 - A COMPARISON OF THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD WITH BENCHMARK FULL CONFIGURATION-INTERACTION AND LARGE-SCALE MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS. Journal of Chemical Physics.
100(4), 2947-2952.
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YEAGER, D. L., NICHOLS, J. A., & GOLAB, J. T.
(1994).
THE POTENTIAL-ENERGY CURVES OF THE X(2)PI(G), A(4)PI(U), A(2)PI(U), B(4)SIGMA(-)(G), B(2)SIGMA(-)(G), (2)PI(U), AND C(4)SIGMA(-)(U) STATES OF O-2(+) OBTAINED USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD. Journal of Chemical Physics.
100(9), 6514-6519.
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YEAGER, D. L., NICHOLS, J. A., & GOLAB, J. T.
(1993).
THE DETERMINATION OF ELECTRON-AFFINITIES OF THE OPEN-SHELL SYSTEMS C AND CH2 USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD. Journal of Chemical Physics.
98(11), 8790-8800.
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YEAGER, D. L., NICHOLS, J. A., & GOLAB, J. T.
(1992).
MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR ELECTRON-AFFINITIES FOR F, BO, CN, OH, AND NH2. Journal of Chemical Physics.
97(11), 8441-8448.
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YEAGER, D. L., & MILLER, W. H.
(1991).
COMPLEX LOG DERIVATIVE METHOD FOR NONREACTIVE COUPLED-CHANNEL SCATTERING CALCULATIONS. The Journal of physical chemistry.
95(21), 8212-8215.
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GRAHAM, R. L., & YEAGER, D. L.
(1991).
THE MULTICONFIGURATIONAL PARTICLE PARTICLE PROPAGATOR METHOD FOR DIRECTLY DETERMINING VERTICAL DOUBLE IONIZATION-POTENTIALS AND DOUBLE ELECTRON-AFFINITIES. Journal of Chemical Physics.
94(4), 2884-2893.
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ZHANG, J., YEAGER, D. L., & MILLER, W. H.
(1990).
3D QUANTUM SCATTERING CALCULATIONS OF THE REACTION HE+H-2(+)-]HEH+ +H FOR TOTAL ANGULAR-MOMENTUM J=0. CHEMICAL PHYSICS LETTERS.
173(5-6), 489-495.
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Graham, R. L., Yeager, D. L., & Rizzo, A.
(1990).
Erratum: The multiconfigurational spin tensor electron propagator method: Electron affinities of Li, Na, and K [J. Chem. Phys. 9 1 , 5451 (1989)]. Journal of Chemical Physics.
92(10), 6336-6337.
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RAHMAN, N. K., RIZZO, A., & YEAGER, D. L.
(1990).
DYNAMIC DIPOLE POLARIZABILITIES OF HE, NE AND AR BY MULTICONFIGURATIONAL LINEAR RESPONSE. CHEMICAL PHYSICS LETTERS.
166(5-6), 565-571.
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RIZZO, A., & YEAGER, D. L.
(1990).
CHARACTERISTICS AND SOME PECULIARITIES OF MULTICONFIGURATIONAL SELF-CONSISTENT FIELD STATIONARY-POINTS OF THE LI- GROUND-STATE. Journal of Chemical Physics.
93(11), 8011-8020.
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Jaszunski, M., & Yeager, D. L.
(1989).
Hyperpolarizability of the neon atom. Physical review. A, General physics.
40(3), 1651-1653.
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JASZUNSKI, M., RIZZO, A., & YEAGER, D. L.
(1989).
A MULTICONFIGURATIONAL LINEAR RESPONSE STUDY OF N2. Chemical Physics.
136(3), 385-397.
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GRAHAM, R. L., YEAGER, D. L., & RIZZO, A.
(1989).
THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD - ELECTRON-AFFINITIES OF LI, NA, AND K. Journal of Chemical Physics.
91(9), 5451-5454.
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OLSEN, J., YEAGER, D. L., & JORGENSEN, P.
(1989).
TRIPLET EXCITATION PROPERTIES IN LARGE-SCALE MULTICONFIGURATION LINEAR RESPONSE CALCULATIONS. Journal of Chemical Physics.
91(1), 381-388.
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JASZUNSKI, M., RIZZO, A., & YEAGER, D. L.
(1988).
ABINITIO LINEAR RESPONSE CALCULATIONS OF THE DIPOLE POLARIZABILITY OF THE ACETYLENE MOLECULE. CHEMICAL PHYSICS LETTERS.
149(1), 79-84.
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RIZZO, A., GRAHAM, R. L., & YEAGER, D. L.
(1988).
ACCURATE TRANSITION MOMENTS BETWEEN THE A3-SIGMA-U+, B3-PI-G, AND B'3-SIGMA-U- OF N-2 USING MULTICONFIGURATIONAL LINEAR RESPONSE. Journal of Chemical Physics.
89(3), 1533-1539.
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JASZUNSKI, M., RIZZO, A., & YEAGER, D. L.
(1988).
APPLICATION OF THE MULTICONFIGURATION TIME-DEPENDENT HARTREE-FOCK METHOD TO CH+ - THE AUXILIARY ACTIVE SPACE. Journal of Chemical Physics.
89(5), 3063-3070.
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GRAHAM, R. L., GOLAB, J. T., & YEAGER, D. L.
(1988).
THE IONIZATION-POTENTIALS OF NH2 - THE MULTICONFIGURATIONAL SPIN-TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) APPLIED TO A POLYATOMIC OPEN-SHELL RADICAL. Journal of Chemical Physics.
88(4), 2572-2581.
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Rizzo, A., Graham, R. L., & Yeager, D. L.
(1988).
Accurate transition moments between the A 3
u +, B3IIg, and B3u - of N2 using multiconfigurational linear response. Journal of Chemical Physics. 89(3), 1533-1539.
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Golab, J. T., Thies, B. S., Yeager, D. L., & Nichols, J. A.
(1987).
Erratum: The ionization potentials of F 2 : A comparison of multiconfigurational electron propagator (MCEP) with other large scale methods using the same basis set [J. Chem. Phys. 8 4 , 284 (1986)]. Journal of Chemical Physics.
87(1), 778-778.
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GRAHAM, R. L., & YEAGER, D. L.
(1987).
EXCITATION-ENERGIES, OSCILLATOR-STRENGTHS, AND FREQUENCY-DEPENDENT POLARIZABILITIES OF BE - COMPARISON OF TDHF, EOM (2ND-ORDER), AND MCTDHF. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
31(1), 99-112.
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GOLAB, J. T., & YEAGER, D. L.
(1987).
THE MULTICONFIGURATIONAL SPIN-TENSOR ELECTRON PROPAGATOR METHOD FOR DETERMINING VERTICAL PRINCIPAL AND SHAKE-UP IONIZATION-POTENTIALS FOR OPEN-SHELL AND HIGHLY CORRELATED ATOMS AND MOLECULES. Journal of Chemical Physics.
87(5), 2925-2944.
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GRAHAM, R. L., YEAGER, D. L., OLSEN, J., JORGENSEN, P., HARRISON, R., ZARRABIAN, S., & BARTLETT, R.
(1986).
EXCITATION-ENERGIES IN BERYLLIUM - A COMPARISON OF MULTICONFIGURATIONAL LINEAR RESPONSE AND FULL CONFIGURATION-INTERACTION CALCULATIONS. Journal of Chemical Physics.
85(11), 6544-6549.
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SWANSTROM, P., GOLAB, J. T., YEAGER, D. L., & NICHOLS, J. A.
(1986).
PHOTOIONIZATION CROSS-SECTIONS INVOLVING AN EXPLICITLY CORRELATED INITIAL STATE - COMBINATION OF MULTICONFIGURATIONAL LINEAR RESPONSE AND THE STIELTJES-CHEBYSHEV MOMENT THEORY. Chemical Physics.
110(2-3), 339-354.
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GOLAB, J. T., THIES, B. S., YEAGER, D. L., & NICHOLS, J. A.
(1986).
THE IONIZATION-POTENTIALS OF F2 - A COMPARISON OF MULTICONFIGURATIONAL ELECTRON PROPAGATOR (MCEP) WITH OTHER LARGE-SCALE METHODS USING THE SAME BASIS SET. Journal of Chemical Physics.
84(1), 284-299.
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GOLAB, J. T., YEAGER, D. L., & JORGENSEN, P.
(1985).
MULTIPLE STATIONARY POINT REPRESENTATIONS IN MC SCF CALCULATIONS. Chemical Physics.
93(1), 83-100.
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YEAGER, D. L., OLSEN, J., & JORGENSEN, P.
(1984).
GENERALIZATIONS OF THE MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK APPROACH. Faraday Symposia of the Chemical Society.
19(19), 85-95.
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MILLS, I. M., OVERILL, R. E., HUNTER, G., DAVIDSON, E. R., COOPER, D. L., BUCKINGHAM, A. D., ... MCCULLOUGH, E. A.
(1984).
A SYMPOSIUM ON MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONS - METHODS AND APPLICATIONS - GENERAL DISCUSSION. Faraday Symposia of the Chemical Society.
175-201.
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NICHOLS, J. A., YEAGER, D. L., & JORGENSEN, P.
(1984).
MULTICONFIGURATIONAL ELECTRON PROPAGATOR (MCEP) IONIZATION-POTENTIALS FOR GENERAL OPEN-SHELL SYSTEMS. Journal of Chemical Physics.
80(1), 293-314.
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ODDERSHEDE, J., JORGENSEN, P., & YEAGER, D. L.
(1984).
POLARIZATION PROPAGATOR METHODS IN ATOMIC AND MOLECULAR CALCULATIONS. Computer Physics Reports.
2(2), 33-92.
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OLSEN, J., JORGENSEN, P., & YEAGER, D. L.
(1983).
2ND-ORDER AND HIGHER-ORDER CONVERGENCE IN LINEAR AND NON-LINEAR MULTICONFIGURATIONAL HARTREE-FOCK THEORY. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
24(1), 25-60.
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OLSEN, J., & YEAGER, D. L.
(1983).
EFFECTIVE HANDLING OF A LARGE CONFIGURATION STATE FUNCTION EXPANSION FOR AN MCSCF STATE AND IMPROVED EFFICIENCY FOR 2-ELECTRON INTEGRAL TRANSFORMATIONS IN MCSCF. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
23(3), 789-809.
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JORGENSEN, P., SWANSTROM, P., & YEAGER, D. L.
(1983).
GUARANTEED CONVERGENCE IN GROUND-STATE MULTICONFIGURATIONAL SELF-CONSISTENT FIELD CALCULATIONS. Journal of Chemical Physics.
78(1), 347-356.
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JORGENSEN, P., SWANSTROM, P., YEAGER, D. L., & OLSEN, J.
(1983).
MULTICONFIGURATIONAL HARTREE-FOCK RESPONSE FUNCTIONS. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
23(3), 959-971.
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OLSEN, J., YEAGER, D. L., & JORGENSEN, P.
(1983).
OPTIMIZATION AND CHARACTERIZATION OF A MULTICONFIGURATIONAL SELF-CONSISTENT FIELD (MCSCF) STATE. Advances in Chemical Physics.
54, 1-176.
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GOLAB, J. T., YEAGER, D. L., & JORGENSEN, P.
(1983).
PROPER CHARACTERIZATION OF MC SCF STATIONARY-POINTS. Chemical Physics.
78(2), 175-199.
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LEE, Y. S., FREED, K. F., SUN, H., & YEAGER, D. L.
(1983).
THE CORRELATED PI-HAMILTONIAN OF TRANS-BUTADIENE AS CALCULATED BY THE ABINITIO EFFECTIVE VALENCE SHELL HAMILTONIAN METHOD - COMPARISON WITH SEMIEMPIRICAL MODELS. Journal of Chemical Physics.
79(8), 3862-3873.
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GOLAB, J. T., YEAGER, D. L., & JORGENSEN, P.
(1983).
PROPER CHARACTERIZATION OF MCSCF STATIONARY-POINTS. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
24(S17), 645-645.
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IGAWA, A., YEAGER, D. L., & FUKUTOME, H.
(1982).
A METHOD TO INCLUDE CERTAIN INFINITE-ORDER CONTRIBUTIONS IN A MULTICONFIGURATIONAL SELF-CONSISTENT FIELD (MCSCF) CALCULATION. Journal of Chemical Physics.
76(11), 5388-5396.
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OLSEN, J., JORGENSEN, P., & YEAGER, D. L.
(1982).
CUBIC CONTRIBUTIONS IN MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD (MCSCF) CALCULATIONS. Journal of Chemical Physics.
77(1), 356-370.
-
LYNCH, D., HERMAN, M. F., & YEAGER, D. L.
(1982).
EXCITED-STATE PROPERTIES FROM THE EQUATIONS OF MOTION METHOD - APPLICATION OF THE MCTDHF-MCRPA TO THE DIPOLE-MOMENTS AND OSCILLATOR-STRENGTHS OF THE ALPHA1-PI,ALPHA3-PI,ALPHA'-SIGMA+ AND D3-DELTA LOW-LYING VALENCE STATES OF CO. Chemical Physics.
64(1), 69-81.
-
OLSEN, J., JORGENSEN, P., & YEAGER, D. L.
(1982).
MULTI-CONFIGURATIONAL HARTREE-FOCK STUDIES OF AVOIDED CURVE CROSSING USING THE NEWTON RAPHSON TECHNIQUE. Journal of Chemical Physics.
76(1), 527-542.
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JORGENSEN, P., OLSEN, J., & YEAGER, D. L.
(1981).
GENERALIZATIONS OF NEWTON-RAPHSON AND MULTIPLICITY INDEPENDENT NEWTON-RAPHSON APPROACHES IN MULTI-CONFIGURATIONAL HARTREE-FOCK THEORY. Journal of Chemical Physics.
75(12), 5802-5815.
-
NICHOLS, J. A., & YEAGER, D. L.
(1981).
METHYLENE EXCITATION-ENERGIES, TRANSITION-PROBABILITIES, AND FREQUENCY-DEPENDENT POLARIZABILITIES. CHEMICAL PHYSICS LETTERS.
84(1), 77-85.
-
YEAGER, D. L., OLSEN, J., & JORGENSEN, P.
(1981).
THE EVALUATION OF MCRPA(MCTDHF) ELECTRONIC EXCITATION-ENERGIES, OSCILLATOR-STRENGTHS, AND POLARIZABILITIES - APPLICATION TO O-2. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
20(S15), 151-162.
-
JORGENSEN, P., ALBERTSEN, P., & YEAGER, D. L.
(1980).
A METHOD TO REDUCE THE NUMBER OF 2 ELECTRON INTEGRAL TRANSFORMATIONS IN A 2ND-ORDER MULTICONFIGURATIONAL HARTREE-FOCK PROCEDURE. Journal of Chemical Physics.
72(12), 6466-6473.
-
SUN, H., FREED, K. F., HERMAN, M. F., & YEAGER, D. L.
(1980).
ABINITIO EFFECTIVE VALENCE SHELL HAMILTONIAN FOR THE NEUTRAL AND IONIC VALENCE STATES OF N, O, F, SI, P, AND S. Journal of Chemical Physics.
72(7), 4158-4173.
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FREED, K. F., HERMAN, M. F., & YEAGER, D. L.
(1980).
CRITICAL COMPARISON BETWEEN EQUATION OF MOTION-GREEN FUNCTION METHODS AND CONFIGURATION-INTERACTION METHODS - ANALYSIS OF METHODS AND APPLICATIONS. Physica Scripta.
21(3-4), 242-250.
-
HERMAN, M. F., FREED, K. F., & YEAGER, D. L.
(1980).
CRITICAL TEST OF EQUATION-OF-MOTION GREENS-FUNCTION METHODS .1. THEORY OF HIGHER-ORDER TERMS. Journal of Chemical Physics.
72(1), 602-610.
-
HERMAN, M. F., FREED, K. F., YEAGER, D. L., & LIU, B.
(1980).
CRITICAL TEST OF EQUATION-OF-MOTION GREENS-FUNCTION METHODS .2. COMPARISON WITH CONFIGURATION-INTERACTION RESULTS. Journal of Chemical Physics.
72(1), 611-620.
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Jo/rgensen, P., Albertsen, P., & Yeager, D. L.
(1980).
Erratum: A method to reduce the number of two electron integral transformations in a second order multiconfigurational HartreeFock procedure [J. Chem. Phys. 72, 6466 (1980)]. Journal of Chemical Physics.
73(10), 5408-5408.
-
ALBERTSEN, P., JORGENSEN, P., & YEAGER, D. L.
(1980).
FREQUENCY-DEPENDENT POLARIZABILITIES IN A MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK APPROXIMATION. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
41(2), 409-420.
-
ALBERTSEN, P., JORGENSEN, P., & YEAGER, D. L.
(1980).
INDIRECT NUCLEAR SPIN-SPIN COUPLING-CONSTANTS WITHIN THE COUPLED MULTICONFIGURATION HARTREE-FOCK APPROXIMATION. CHEMICAL PHYSICS LETTERS.
76(2), 354-358.
-
YEAGER, D. L., ALBERTSEN, P., & JORGENSEN, P.
(1980).
MODE DAMPING IN MULTICONFIGURATIONAL HARTREE-FOCK PROCEDURES. Journal of Chemical Physics.
73(6), 2811-2816.
-
ALBERTSEN, P., JORGENSEN, P., & YEAGER, D. L.
(1980).
MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK CALCULATION OF VERTICAL EXCITATION-ENERGIES AND TRANSITION MOMENTS OF O2. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
17(S14), 249-260.
-
YEAGER, D. L., & JORGENSEN, P.
(1980).
NUMERICAL STUDY OF THE CONVERGENCY OF 2ND AND APPROXIMATE 2ND-ORDER MULTICONFIGURATION HARTREE-FOCK PROCEDURES. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
39(3), 587-596.
-
YEAGER, D. L., SHEPPARD, M. G., & FREED, K. F.
(1980).
ONE-CENTER INTEGRALS OF THE EXACT EFFECTIVE VALENCE SHELL HAMILTONIAN - EMPIRICAL-ANALYSIS FOR ATOMS. Journal of the American Chemical Society.
102(4), 1270-1277.
-
YEAGER, D. L., & JORGENSEN, P.
(1979).
MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK APPROACH. CHEMICAL PHYSICS LETTERS.
65(1), 77-80.
-
SUN, H., FREED, K. F., HERMAN, M. F., & YEAGER, D. L.
(1979).
AB-INITIO EFFECTIVE VALENCE SHELL HAMILTONIAN ON N, O, F, SI, P, AND S. Bulletin of the American Physical Society.
24(3), 447-448.
-
HERMAN, M. F., FREED, K. F., YEAGER, D. L., & LIU, B.
(1979).
CALCULATION OF HIGHER-ORDER CONTRIBUTIONS TO EQUATIONS OF MOTION GREENS FUNCTION IONIZATION-POTENTIALS. Bulletin of the American Physical Society.
24(3), 448-448.
-
YEAGER, D. L., & JORGENSEN, P.
(1979).
CONVERGENCY STUDIES OF SECOND AND APPROXIMATE 2ND ORDER MULTICONFIGURATIONAL HARTREE-FOCK PROCEDURES. Journal of Chemical Physics.
71(2), 755-760.
-
SHEPPARD, M. G., FREED, K. F., HERMAN, M. F., & YEAGER, D. L.
(1979).
GENERALIZED PERTURBATION-THEORY OF EFFECTIVE VALENCE SHELL HAMILTONIANS. CHEMICAL PHYSICS LETTERS.
61(3), 577-582.
-
YEAGER, D. L., SUN, H., FREED, K. F., & HERMAN, M. F.
(1978).
ABINITIO CALCULATION OF EFFECTIVE VALENCE SHELL HAMILTONIAN OF CARBON - SIMULTANEOUS TREATMENT OF NEUTRAL AND ION STATES. CHEMICAL PHYSICS LETTERS.
57(4), 490-495.
-
HERMAN, M. F., YEAGER, D. L., & FREED, K. F.
(1978).
ANALYSIS OF 3RD ORDER CONTRIBUTIONS TO EQUATIONS OF MOTION - GREENS FUNCTION IONIZATION-POTENTIALS - APPLICATION TO N-2. Chemical Physics.
29(1-2), 77-96.
-
HERMAN, M. F., FREED, K. F., & YEAGER, D. L.
(1978).
SHAKE-UP PEAK POSITIONS AND INTENSITIES BY MANY-BODY THEORY METHODS. Chemical Physics.
32(3), 437-449.
-
HERMAN, M. F., YEAGER, D. L., FREED, K. F., & MCKOY, V.
(1977).
CRITICAL ANALYSIS OF EQUATIONS-OF-MOTION-GREENS FUNCTION METHOD - IONIZATION-POTENTIALS OF N-2. CHEMICAL PHYSICS LETTERS.
46(1), 1-7.
-
YEAGER, D. L., & FREED, K. F.
(1977).
ANALYSIS OF 3RD ORDER CONTRIBUTIONS TO EQUATIONS OF MOTION GREENS FUNCTION EXCITATION-ENERGIES - APPLICATION TO N2. Chemical Physics.
22(3), 415-433.
-
YEAGER, D. L., & FREED, K. F.
(1977).
ANALYSIS OF 3RD ORDER CONTRIBUTIONS TO EQUATIONS OF MOTION GREENS FUNCTION EXCITATION-ENERGIES - APPLICATIONS TO N2. Bulletin of the American Physical Society.
22(1), 56-57.
-
HERMAN, M. F., YEAGER, D. L., FREED, K. F., & MCKOY, V.
(1977).
CRITICAL ANALYSIS OF EQUATIONS OF MOTION GREENS FUNCTION METHOD - IONIZATION-POTENTIALS OF N2. Bulletin of the American Physical Society.
22(1), 57-57.
-
FREED, K. F., YEAGER, D. L., & METIU, H.
(1977).
ROTATIONAL MECHANISM FOR VIBRATIONAL-RELAXATION IN RIGID MEDIA - INTERACTION POTENTIALS. CHEMICAL PHYSICS LETTERS.
49(1), 19-23.
-
LIEBMAN, J. F., YEAGER, D. L., & SIMONS, J.
(1977).
SIMPLE APPROACH TO PREDICTING RESONANCE LEVELS. CHEMICAL PHYSICS LETTERS.
48(2), 227-232.
-
ENGLAND, W., YEAGER, D., & WAHL, A. C.
(1977).
THEORETICAL STUDIES OF ATMOSPHERIC TRIATOMIC-MOLECULES - ABINITIO EQUATIONS OF MOTION EXCITATION-ENERGIES FOR VALENCE STATES OF CONFIGURATION 1PI3G2PI1U IN CO2. Journal of Chemical Physics.
66(6), 2344-2346.
-
YEAGER, D. L., & MCKOY, V.
(1977).
TRANSITION MOMENTS BETWEEN EXCITED ELECTRONIC STATES OF N2. Journal of Chemical Physics.
67(6), 2473-2477.
-
FREED, K. F., & YEAGER, D. L.
(1977).
WAVEFUNCTION APPROACH TO EQUATION OF MOTION GREENS FUNCTION METHODS. Bulletin of the American Physical Society.
22(1), 56-56.
-
FREED, K. F., & YEAGER, D. L.
(1977).
WAVEFUNCTION APPROACH TO EQUATIONS OF MOTION GREENS FUNCTION METHODS. Chemical Physics.
22(3), 401-414.
-
YEAGER, D. L., NASCIMENTO, M., & MCKOY, V.
(1975).
SOME APPLICATIONS OF EXCITED-STATE EXCITED-STATE TRANSITION DENSITIES. Physical Review A: Atomic, Molecular and Optical Physics.
11(4), 1168-1174.
-
YEAGER, D. L., & MCKOY, V.
(1975).
EQUATIONS OF MOTION APPROACH FOR OPEN-SHELL SYSTEMS. Journal of Chemical Physics.
63(11), 4861-4869.
-
MARTIN, P., YEAGER, D. L., & MCKOY, V.
(1974).
OSCILLATOR-STRENGTHS FOR CHI-1 SIGMA+ -A1-PI SYSTEM IN CH+ FROM EQUATIONS OF MOTION METHOD. CHEMICAL PHYSICS LETTERS.
25(2), 182-184.
-
YEAGER, D., MCKOY, V., & SEGAL, G. A.
(1974).
ASSIGNMENTS IN ELECTRONIC-SPECTRUM OF WATER. Journal of Chemical Physics.
61(3), 755-758.
-
YEAGER, D. L., & MCKOY, V.
(1974).
EQUATIONS OF MOTION METHOD - EXCITATION-ENERGIES AND INTENSITIES IN FORMALDEHYDE. Journal of Chemical Physics.
60(7), 2714-2716.
-
Samanta, K., Tsogbayar, T., Zhang, S. B., & Yeager, D. L.
(2018).
Electron-Atom and Electron-Molecule Resonances: Some Theoretical Approaches Using Complex Scaled Multiconfigurational Methods. Advances in Quantum Chemistry.
77, 317-390.
-
conference paper
-
Samanta, K., & Yeager, D. L.
(2015).
Investigation of Electron-Atom/Molecule Scattering Resonances: Two Complex Multiconfigurational Self-Consistent Field Approaches. AIP Conference Proceedings.
239-242.
-
Yeager, D. L.
(2005).
The multiconfigurational spin-tensor electron propagator method (MCSTEP). Advances in Quantum Chemistry.
289-313.
-
McKellar, A. J., Heryadi, D., & Yeager, D. L.
(1998).
Balanced complete active space choices with the multiconfigurational spin tensor electron propagator method: The vertical ionization potentials of NH2. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
729-736.
-
YEAGER, D. L.
(1992).
MULTICONFIGURATIONAL GREEN-FUNCTION (PROPAGATOR) TECHNIQUES FOR EXCITATION-ENERGIES, IONIZATION-POTENTIALS, AND ELECTRON-AFFINITIES - AN OVERVIEW. 133-161.
-
Mills, I. M., Overill, R. E., Hunter, G., Davidson, E. R., Cooper, D. L., Buckingham, A. D., ... McCullough, E. A.
(1984).
General discussion. Faraday Symposia of the Chemical Society.
175-201.
-
YEAGER, D. L., LYNCH, D., NICHOLS, J., JORGENSEN, P., & OLSEN, J.
(1982).
NEWTON-RAPHSON APPROACHES AND GENERALIZATIONS IN MULTICONFIGURATIONAL SELF-CONSISTENT FIELD CALCULATIONS. The Journal of physical chemistry.
2140-2153.
-
FENLON, F. H., & YEAGER, D. L.
(1979).
FORMATION OF PARAMETRIC ACOUSTIC ARRAYS IN LAYERED MEDIA. Journal of the Acoustical Society of America.
S21-S21.
-
YEAGER, D. L.
(1963).
STATE-OF-THE-ART IN OPERATIONS-RESEARCH. Operations Research.
B47-B48.
-
Samanta, K., & Yeager, D. L.
(2015).
Investigation of Electron-Atom/Molecule Scattering Resonances: Two Complex Multiconfigurational Self-Consistent Field Approaches. AIP Conference Proceedings.
239-242.
Teaching
teaching activities
- CHEM326 Physical Chem Lab Ii Instructor
- CHEM327 Physical Chem I Instructor
- CHEM328 Physical Chem Ii Instructor
- CHEM491 Hnr-research Instructor
- CHEM648 Prin Of Quantum Mech Instructor
- CHEM691 Research Instructor
Works By Students
chaired theses and dissertations
Background
education and training
Contact
first name
- Danny
has last name
- Yeager
mailing address
-
Texas A&M University
Chemistry Department
3255 TAMU
College Station, TX 77843-3255
USA
Other
- d-yeager@tamu.edu