Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

High-spin open-shell coupled-cluster theory

High-spin open-shell coupled-cluster theory... [Pg.182]

P.. Knowles, C. Hampel, and H.-. Werner,/. Chem. Phys., 99, 5219 (1993). Coupled-Cluster Theory for High-Spin, Open-Shell Reference Wave Functions. [Pg.126]

T. D. Crawford, Ph.D. Thesis, University of Georgia, 1996. Many-Body Perturbation Theory and Perturbational Triple Excitation Corrections to the Coupled-Cluster Singles and Doubles Method for High-Spin Open-Shell Systems. [Pg.130]

C., and Werner, H.-J. (1993) Coupled cluster theory for high spin, open shell reference wave functions. J. Chem. Phys., 99, 5219 5227 (d) Watts, ).D., Gauss,... [Pg.69]

See other pages where High-spin open-shell coupled-cluster theory is mentioned: [Pg.644]    [Pg.117]    [Pg.189]    [Pg.182]    [Pg.3]    [Pg.205]    [Pg.339]    [Pg.54]    [Pg.219]    [Pg.34]    [Pg.16]    [Pg.343]    [Pg.120]    [Pg.351]    [Pg.347]    [Pg.339]   


SEARCH



Cluster coupled

Cluster open clusters

Clusters open-shell

Coupled clustered theory

Coupled-cluster theory

Coupled-cluster theory open-shell

Coupling theory

High clustering

High-spin coupled-cluster theory

Open shell

© 2024 chempedia.info