Direct atomic orbital based self‐consistent‐field calculations of nonlinear molecular properties. Application to the frequency dependent hyperpolarizability of para‐nitroaniline-Reference-Cited by-同舟云学术

Direct atomic orbital based self‐consistent‐field calculations of nonlinear molecular properties. Application to the frequency dependent hyperpolarizability of para‐nitroaniline

Published:1993-04-15 Issue:8 Volume:98 Page:6417-6423
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ågren Hans,Vahtras Olav,Koch Henrik,Jo/rgensen Poul,Helgaker Trygve

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.465099

Reference23 articles.

1. Spin–orbit coupling constants in a multiconfiguration linear response approach

2. Quadratic response functions for a multiconfigurational self‐consistent field wave function

3. Multiconfigurational quadratic response functions for singlet and triplet perturbations: The phosphorescence lifetime of formaldehyde

4. Principles for a directSCFapproach toLICAO-MOab-initiocalculations

5. The Theory and Computational Implementation of Quadratically Convergent Hartree-Fock Orbital Optimization Methods and Their Relationship to the Time-dependent Hartree-Fock and RPA Methods

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