Revisitation of Nonorthogonal Spin Adaptation in Coupled Cluster Theory-Reference-Cited by-同舟云学术

Revisitation of Nonorthogonal Spin Adaptation in Coupled Cluster Theory

Published:2013-05-24 Issue:6 Volume:9 Page:2567-2572
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Matthews Devin A.¹,Gauss Jürgen²,Stanton John F.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Institute for Theoretical Chemistry, The University of Texas at Austin, Austin, Texas 78712, United States

2. Institut für Physikalische Chemie, Universität Mainz, D-55099 Mainz, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct301024v

Reference42 articles.

1. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

2. Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry

3. Extended benchmark studies of coupled cluster theory through triple excitations

4. HEAT: High accuracy extrapolatedab initiothermochemistry

5. Molecular equilibrium geometries based on coupled-cluster calculations including quadruple excitations

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