Application of the virial theorem for improving eigenvalue calculations of multiparticle systems Academic Article

abstract

• 2016 Elsevier B.V. The virial theorem is a fundamental property for multiparticle systems in quantum mechanics, and offers an elegant relationship between kinetic and potential energies of quantum states. In this paper, we study applications of the virial theorem for improving eigenvalue calculations of multiparticle systems. We propose the virial steepest descent scheme and the two-point linear extrapolation, to improve the accuracy of such eigenvalue calculations through post-processing eigenvalue data obtained from standard methods. Mathematical analysis of both methods is presented. Examples are included to illustrate the efficiency of both methods.

authors

• Chen, Goong
• Huang, Tingwen

published proceedings

• JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS

author list (cited authors)

• Chen, G., Ding, Z., Huang, T., Yu, L., Ramakrishna, V., & Ward, J.

citation count

• 2

complete list of authors

• Chen, Goong||Ding, Zhonghai||Huang, Tingwen||Yu, Lanxuan||Ramakrishna, Viswanath||Ward, Joseph

publication date

• March 2017

publisher

• Elsevier  Publisher

published in

• Journal of Computational and Applied Mathematics  Journal

keywords

• Eigenvalue Calculation
• Multiparticle System
• The Virial Theorem

Digital Object Identifier (DOI)

• 10.1016/j.cam.2016.10.007

start page

• 469

end page

• 485

volume

• 313

URL

• http://dx.doi.org/10.1016/j.cam.2016.10.007