The generalized active space concept for the relativistic treatment of electron correlation. II. Large-scale configuration interaction implementation based on relativistic 2- and 4-spinors and its application-Reference-Cited by-同舟云学术

The generalized active space concept for the relativistic treatment of electron correlation. II. Large-scale configuration interaction implementation based on relativistic 2- and 4-spinors and its application

Published:2003-08-08 Issue:6 Volume:119 Page:2963-2971
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Fleig Timo,Olsen Jeppe,Visscher Lucas

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1590636

Reference14 articles.

1. Spin−Orbit Configuration Interaction Using the Graphical Unitary Group Approach and Relativistic Core Potential and Spin−Orbit Operators

2. Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene

3. The generalized active space concept for the relativistic treatment of electron correlation. I. Kramers-restricted two-component configuration interaction

4. The initial implementation and applications of a general active space coupled cluster method

5. Quaternion symmetry in relativistic molecular calculations: The Dirac–Hartree–Fock method

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