Efficient evaluation of electron correlation along the bond-dissociation coordinate in the ground and excited ionic states with dynamic correlation suppression and enhancement functions of the on-top pair density-Reference-Cited by-同舟云学术

Efficient evaluation of electron correlation along the bond-dissociation coordinate in the ground and excited ionic states with dynamic correlation suppression and enhancement functions of the on-top pair density

Published:2018-12-14 Issue:6 Volume:98 Page:
ISSN:2469-9926
Container-title:Physical Review A
language:en
Short-container-title:Phys. Rev. A

Author:

Gritsenko Oleg V.,van Meer Robert,Pernal Katarzyna

Funder

Narodowe Centrum Nauki

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.98.062510/fulltext

Reference27 articles.

1. Left-right correlation energy

2. Second-order perturbation theory with a CASSCF reference function

3. The CASSCF method: A perspective and commentary

4. Electron Correlation Effects in Molecules

Cited by 21 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Self-Adapting Short-Range Correlation Functional for Complete Active Space-Based Approximations;The Journal of Physical Chemistry A;2024-08-08

2. Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation;Journal of Chemical Theory and Computation;2024-04-26

3. Perspective: multi-configurational methods in bio-inorganic chemistry;Physical Chemistry Chemical Physics;2024

4. Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting;The Journal of Physical Chemistry Letters;2022-04-28

5. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science;Physical Chemistry Chemical Physics;2022