Perspective on "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. theory"

Theoretical Chemistry Accounts

Volumn 103, Issue 3-4, 2000, Pages 294-296

  Schlegel, H Bernhard ^a  

^a WAYNE STATE UNIVERSITY   (United States)

Author keywords

Energy derivatives; Force constants; Geometry optimization; Gradients; Hessians

Indexed keywords

EID: 0034416743     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050040     Document Type: Review

References (16)

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