Open AccessUnderstanding intermolecular interactions of large systems in ground state and excited state by using density functional based tight binding methods
Author(s) -
Yuan Xu,
Ran Friedman,
Wei Wu,
Peifeng Su
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0052060
Subject(s) - tight binding , excited state , ground state , intermolecular force , density functional theory , binding energy , chemistry , computational chemistry , molecule , electronic structure , physics , atomic physics , organic chemistry
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