Quartic-Scaling Analytical Gradient of Quasidegenerate Scaled Opposite Spin Second-Order Perturbation Corrections to Single Excitation Configuration Interaction-Reference-Cited by-同舟云学术

Quartic-Scaling Analytical Gradient of Quasidegenerate Scaled Opposite Spin Second-Order Perturbation Corrections to Single Excitation Configuration Interaction

Published:2009-04-14 Issue:5 Volume:5 Page:1224-1236
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Rhee Young Min¹,Casanova David¹,Head-Gordon Martin¹

Affiliation:

1. Department of Chemistry, University of California, Berkeley, California 94720, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800509z

Reference59 articles.

1. Self‐Consistent Molecular Orbital Methods. X. Molecular Orbital Studies of Excited States with Minimal and Extended Basis Sets

2. Coupled cluster response functions

3. A response-function approach to the direct calculation of the transition-energy in a multiple-cluster expansion formalism

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