Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory-Reference-Cited by-同舟云学术

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory

Published:2011-09-14 Issue:10 Volume:135 Page:104103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Bozkaya Uğur,Turney Justin M.,Yamaguchi Yukio,Schaefer Henry F.,Sherrill C. David

Funder

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3631129

Reference95 articles.

1. Nuclear Saturation and Two-Body Forces. II. Tensor Forces

2. Brueckner's Theory and the Method of Superposition of Configurations

3. Size-consistent Brueckner theory limited to double substitutions

4. Symmetry breaking in O+4: an application of the Brueckner coupled-cluster method

5. On the choice of orbitals for symmetry breaking problems with application to NO3

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