Towards a multiconfigurational method of increments-Reference-Cited by-同舟云学术

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Towards a multiconfigurational method of increments

Published:2018-03-27 Issue:11 Volume:116 Page:1471-1482
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Fertitta E.¹,Koch D.²,Paulus B.³,Barcza G.⁴,Legeza Ö.⁴

Affiliation:

1. Department of Physics, King's College London, London, UK

2. Department of Mechanical Engineering, National University of Singapore, Singapore

3. Institut für Chemie und Biochemie - Physikalische und Theoretische Chemie, Freie Universität Berlin, Berlin, Germany

4. Strongly Correlated Systems “Lendület” Research Group, Wigner Research Centre for Physics, Budapest, Hungary

Funder

Agence Nationale de la Recherche and Deutsche Forschungsgemeinschaft

National Research, Development and Innovation Office

Quantum Technology National Excellence Program

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2018.1444208

Reference66 articles.

1. Density Functional Theory

2. The Fundamentals of Density Functional Theory

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. Density matrix formulation for quantum renormalization groups

5. Density-matrix algorithms for quantum renormalization groups

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1. Excitation spectra of fully correlated donor-acceptor complexes by density matrix renormalisation group;Molecular Physics;2022-10-07

2. Cluster many-body expansion: A many-body expansion of the electron correlation energy about a cluster mean field reference;The Journal of Chemical Physics;2021-08-07

3. Scaling up electronic structure calculations on quantum computers: The frozen natural orbital based method of increments;The Journal of Chemical Physics;2021-07-21

4. Toward a wavefunction-based treatment of strong electron correlation in extended systems by means of incremental methods;The Journal of Chemical Physics;2019-07-28

5. Evaluation of full valence correlation energies and gradients;The Journal of Chemical Physics;2019-06-28

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