Geometry optimization of periodic systems using internal coordinates

Journal of Chemical Physics

Volumn 122, Issue 12, 2005, Pages

  Bučko, Tomáš ^a   Hafner, Jürgen ^a   Ángyán, János G ^b  

^a UNIVERSITY OF VIENNA   (Austria)

^b Nancy University CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CELL ATOMS; CONSTRAINED OPTIMIZATION; GEOMETRY OPTIMIZATION; GEOMETRY RELAXATION;

ALGORITHMS; APPROXIMATION THEORY; GEOMETRY; LATTICE CONSTANTS; MOLECULAR CRYSTALS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; VECTORS;

TIME VARYING SYSTEMS;

EID: 17544379311     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1864932     Document Type: Article

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