On the use of symmetry-adapted crystalline orbitals in SCF-LCAO periodic calculations. II. Implementation of the self-consistent-field scheme and examples

International Journal of Quantum Chemistry

Volumn 67, Issue 5, 1998, Pages 311-320

  Zicovich Wilson, C M ^a,b   Dovesi, R ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b INSTITUTO DE TECNOLOGÍA QUÍMICA   (Spain)

Author keywords

Bloch functions; Crystalline orbitals; Irreducible representations; Periodic; Space symmetry

Indexed keywords

EID: 0000391484     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)67:5<311::AID-QUA4>3.0.CO;2-Y     Document Type: Article

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