Quantum Chemical Modeling of Photoabsorption Properties of Two- and Three-Nitrogen Vacancy Point Defects in Diamond | Zendy

A. S. Zyubin | Zendy; Alexander M. Mebel | Zendy; Michitoshi Hayashi | Zendy; HuanCheng Chang | Zendy; S. H. Lin | Zendy

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Quantum Chemical Modeling of Photoabsorption Properties of Two- and Three-Nitrogen Vacancy Point Defects in Diamond

Author(s) -

A. S. Zyubin,

Alexander M. Mebel,

Michitoshi Hayashi,

HuanCheng Chang,

S. H. Lin

Publication year - 2009

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/jp9012703

Subject(s) - antibonding molecular orbital , lone pair , excited state , vacancy defect , atomic physics , chemistry , density functional theory , diamond , molecular physics , atomic orbital , physics , computational chemistry , crystallography , molecule , quantum mechanics , organic chemistry , electron

Quantum chemical calculations of the geometric and electronic structures and vertical transition energies for several low-lying excited states of the neutral and negatively charged vacancy-related ...

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