Literature DB >> 19392541

Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation.

Julien Toulouse1, Iann C Gerber, Georg Jansen, Andreas Savin, János G Angyán.   

Abstract

An adiabatic-connection fluctuation-dissipation theorem approach based on a range separation of electron-electron interactions is proposed. It involves a rigorous combination of short-range density-functional and long-range random phase approximations. This method corrects several shortcomings of the standard random phase approximation and it is particularly well suited for describing weakly bound van der Waals systems, as demonstrated on the challenging cases of the dimers Be2 and Ne2.

Year:  2009        PMID: 19392541     DOI: 10.1103/PhysRevLett.102.096404

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  5 in total

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2.  Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach.

Authors:  Dávid Mester; Mihály Kállay
Journal:  J Chem Theory Comput       Date:  2022-01-13       Impact factor: 6.006

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Journal:  J Chem Theory Comput       Date:  2022-02-24       Impact factor: 6.006

4.  Assessment of the Second-Order Statically Screened Exchange Correction to the Random Phase Approximation for Correlation Energies.

Authors:  Arno Förster
Journal:  J Chem Theory Comput       Date:  2022-09-23       Impact factor: 6.578

5.  Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms.

Authors:  Subrata Jana; Szymon Śmiga; Lucian A Constantin; Prasanjit Samal
Journal:  J Chem Theory Comput       Date:  2020-11-18       Impact factor: 6.006

  5 in total

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