A Guided Self-Consistent-Field Method for Excited-State Wave Function Optimization: Applications to Ligand-Field Transitions in Transition-Metal Complexes-Reference-Cited by-同舟云学术

A Guided Self-Consistent-Field Method for Excited-State Wave Function Optimization: Applications to Ligand-Field Transitions in Transition-Metal Complexes

Published:2013-08-29 Issue:9 Volume:9 Page:3933-3938
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Peng Bo¹,Van Kuiken Benjamin E.¹,Ding Feizhi¹,Li Xiaosong¹

Affiliation:

1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400547n

Reference45 articles.

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3. Electronic excitations: density-functional versus many-body Green’s-function approaches

4. Casida, M. E.InRecent Advances in Density-Functional Methods;Chong, D. A., Ed.World Scientific:Singapore, 1995; pp155–192.

5. Casida, M. E.InTheoretical and Computational Chemistry;Seminario, J. M., Ed.Elsevier:Amsterdam, 1996; pp391–439.

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