Gaussian basis sets to the theoretical study of the electronic structure of perovskite (LaMnO3)

Journal of Molecular Structure: THEOCHEM

Volumn 631, Issue 1-3, 2003, Pages 93-99

  Treu Filho, O ^a   Pinheiro, J C ^b,c   Kondo, R T ^d   Marques, R F C ^a   Paiva Santos, C O ^a   Davolos, M R ^a   Jafelicci Jr , M ^a  

^a SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

^b FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^c Coop Ctro Educ Cie E da A ^*  (Brazil)

^d UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Gaussian basis sets; Generator Coordinate Hartree Fock method; LaMnO3; Perovskite; Piezoelectric

Indexed keywords

PEROVSKITE;

ANALYTIC METHOD; ARTICLE; CHEMICAL STRUCTURE; CRYSTALLIZATION; DIPOLE; MECHANICAL STRESS; PIEZOELECTRICITY; POLARIZATION; TECHNIQUE;

EID: 0042767992     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00207-0     Document Type: Article

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