Range-Separated Hybrid Functionals with Variational Fitted Exact Exchange-Reference-Cited by-同舟云学术

Range-Separated Hybrid Functionals with Variational Fitted Exact Exchange

Published:2018-10-17 Issue:11 Volume:14 Page:5608-5616
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Delesma Francisco A.¹^ORCID,Geudtner Gerald²,Mejía-Rodríguez Daniel²^ORCID,Calaminici Patrizia¹²^ORCID,Köster Andreas M.¹²

Affiliation:

1. Programa de Doctorado en Nanociencias y Nanotecnología, CINVESTAV, Av. Instituto Politécnico Nacional, 2508, A.P. 14-740, Ciudad de México 07000, México

2. Departamento de Química, CINVESTAV, Av. Instituto Politécnico Nacional, 2508, A.P. 14-740, Ciudad de México 07000, México

Funder

Consejo Nacional de Ciencia y Tecnolog?a

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00436

Reference50 articles.

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4. Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains

5. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

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