Parallel Implementation of the Four-Component Relativistic Quasidegenerate Perturbation Theory with General Multiconfigurational Reference Functions
Author:
Affiliation:
1. Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan
2. Institute of Advanced Research, Kyushu University, Fukuoka 812-8581, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct2000205
Reference37 articles.
1. Second-order energies and third-order matrix elements of alkali-metal atoms
2. Relativistic Dirac-Fock and many-body perturbation calculations on He, He-like ions, Ne, and Ar
3. Relativistic many-body perturbation theory using analytic basis functions
4. High-accuracy calculation of the 6s1/2→7s1/2parity-nonconserving transition in atomic cesium and implications for the standard model
5. Second-order Møller-Plesset perturbation theory for molecular Dirac-Hartree-Fock wavefunctions. Theory for up to two open-shell electrons
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