Robust Periodic Fock Exchange with Atom-Centered Gaussian Basis Sets-Reference-Cited by-同舟云学术

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Robust Periodic Fock Exchange with Atom-Centered Gaussian Basis Sets

Published:2018-08-06 Issue:9 Volume:14 Page:4567-4580
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Irmler Andreas¹,Burow Asbjörn M.²^ORCID,Pauly Fabian¹³^ORCID

Affiliation:

1. Department of Physics, University of Konstanz, Universitätsstraße 10, D-78464 Konstanz, Germany

2. Department of Chemistry, Ludwig-Maximilians-Universität (LMU) Munich, Butenandtstraße 7, D-81377 Munich, Germany

3. Okinawa Institute of Science and Technology Graduate University, Onna-son, Okinawa 904-0395, Japan

Funder

Carl-Zeiss-Stiftung

Deutsche Forschungsgemeinschaft

Verband der Chemischen Industrie

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00122

Reference62 articles.

1. Electronic Structure

2. Interacting Electrons

3. A new mixing of Hartree–Fock and local density‐functional theories

4. Rationale for mixing exact exchange with density functional approximations

5. Density functional theory is straying from the path toward the exact functional

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