The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies-Reference-Cited by-同舟云学术

The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies

Published:2019-06 Issue: Volume:724 Page:96-102
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Cabral Benedito J.C.

Funder

Fundação para a Ciência e a Tecnologia

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference50 articles.

1. Full valence band photoemission from liquid water using EUV synchrotron radiation;Winter;J. Phys. Chem. A,2004

2. The density of states and band gap of liquid water by sequential Monte Carlo/quantum mechanics calculations;do Couto;Braz. J. Phys.,2004

3. The Kohn-Sham density of states and band gap of water: from small clusters to liquid water;do Couto;J. Chem. Phys.,2005

4. Electronic properties of liquid water by sequential molecular dynamics/density functional theory;Millot;Chem. Phys. Lett.,2008

5. The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations;Fang;Phys. Chem. Chem. Phys.,2015

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