The simplex method for geometry optimization in half-projected Hartree-Fock calculations of excited states

Journal of Molecular Structure: THEOCHEM

Volumn 365, Issue 2-3, 1996, Pages 151-165

  Ruiz, M Belén ^a,b   Otto, Peter ^a   Smeyers, Yves G ^b  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

Author keywords

Excited state; Geometry optimization; Half projected Hartree Fock method (HPHF); Simplex method

Indexed keywords

EID: 0005649522     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(96)04478-8     Document Type: Article

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