EQMO: Equation of motion method for efficient electronic structure calculations

Vadim Zhuravlev; Michał Hermanowicz; Marek T. Michalewicz

doi:10.1016/j.cpc.2021.108064

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Title

EQMO: Equation of motion method for efficient electronic structure calculations

Authors

Vadim Zhuravlev
Michał Hermanowicz (WIMiFT) ^{[ 1 ][ 2 ][ 2.8 ][ P ]}
Marek T. Michalewicz

^{[ 1 ]} Instytut Fizyki, Wydział Inżynierii Materiałowej i Fizyki Technicznej, Politechnika Poznańska | ^{[ 2 ]} Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw | ^{[ P ]} employee

Scientific discipline (Law 2.0)

[2.8] Materials engineering

Year of publication

2021

Published in

Computer Physics Communications

Journal year: 2021 | Journal volume: vol. 267

Article type

scientific article

Publication language

english

Date of online publication

16.06.2021

Pages (from - to)

108064-1 - 108064-2

DOI

10.1016/j.cpc.2021.108064

URL

https://doi.org/10.1016/j.cpc.2021.108064

Ministry points / journal

140

Ministry points / journal in years 2017-2021

140

Impact Factor

4,717

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