Potential Energy Curves in the CASSCF/CASPT2 and FS-MR-CC Methods: The Role of Relativistic Effects-Reference-Cited by-同舟云学术

Potential Energy Curves in the CASSCF/CASPT2 and FS-MR-CC Methods: The Role of Relativistic Effects

Published:2016-03-10 Issue:4 Volume:12 Page:1614-1626
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Barysz Maria¹

Affiliation:

1. Department of Quantum Chemistry, Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, 87-100 Toruń, Poland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00008

Reference71 articles.

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2. Equation-of-motion coupled cluster method with full inclusion of connected triple excitations for electron-attached states: EA-EOM-CCSDT

3. Fock space multireference coupled cluster method with full inclusion of connected triples for excitation energies

4. Coupled-cluster theory in quantum chemistry

5. Multireference Fock space coupled cluster method in the effective and intermediate Hamiltonian formulation for the (2,0) sector

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