&#955;-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density.

Zheng, Peikun; Gan, Zixi; Zhou, Chen; Su, Peifeng; Wu, Wei

λ-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density.

Zheng, Peikun; Gan, Zixi; Zhou, Chen; Su, Peifeng; Wu, Wei.

Afiliação

Zheng P; State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
Gan Z; State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
Zhou C; State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
Su P; State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
Wu W; State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.

J Chem Phys ; 156(20): 204103, 2022 May 28.

Article em En | MEDLINE | ID: mdl-35649821

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China

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