arXiv subjects

B Padhy

Publications and source records attributed to B Padhy.

3 recordsLinked to original sources

arXiv2019

Analytic Evaluation of two-electron Atomic Integrals involving Extended Hylleraas-CI functions with STO basis

Some typical overlap/potential energy integrals which occur in the use of extended Hylleraas-configuration interaction (E-Hy-CI) functions with Slater-type orbital (STO) basis for two-electron atomic structure calculations, have been evaluated analytically. The corresponding kinetic energy integrals have been simplified first by using formulas derived from Gauss' divergence theorem in vector calculus, and then expressed in terms of overlap / potential energy matrix elements. Also closed-form expressions for such integrals which arise in the application of Hylleraas-CI functions, and CI functions have been obtained as special cases, and the calculated values are found to agree well with correct results published by other investigators.

physics.atom-ph↗

arXiv2018

Kinetic Energy Matrix Elements for a two-electron Atom with Extended Hylleraas-CI Wave Function

Some typical kinetic energy integrals which arise in the application of extended Hylleraas-configuration interaction (E-Hy-CI) function in the framework of Rayleigh-Ritz method of variation, have been evaluated analytically for two-electron atomic systems. Closed-form expressions for the corresponding integrals which occur in the application of Hylleraas-CI functions, have also been derived as special cases.

physics.atom-ph↗

arXiv2017

Analytic evaluation of some three- and four- electron atomic integrals involving s STO's and exponential correlation with unlinked $r_{ij}$'s

The method of evaluation outlined in a previous work has been utilized here to evaluate certain other three- electron and four- electron atomic integrals involving s Slater-type orbitals and exponential correlation with unlinked $r_{ij}$'s. Limiting expressions for various such integrals have been derived, which has not been done earlier. Closed-form expressions for $ $, $ $, $ $, $ $ and $ $ have been obtained.

physics.atom-ph↗