Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

Journal of Chemical Physics

Volumn 143, Issue 10, 2015, Pages

  Del Ben, Mauro ^a   Hutter, Jürg ^a   Vandevondele, Joost ^b  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; COMPUTER GRAPHICS; CRYSTAL ATOMIC STRUCTURE; ELASTIC WAVES; IMAGE CODING; MOLECULAR CRYSTALS; MOLECULAR DYNAMICS; PARALLEL ALGORITHMS; PERTURBATION TECHNIQUES; PROGRAM PROCESSORS; WAVE PROPAGATION;

DYNAMICAL PROPERTIES; GEOMETRY OPTIMIZATION; GRAPHICS PROCESSING UNIT; ISOBARIC-ISOTHERMAL ENSEMBLE; MICROCANONICAL ENSEMBLES; MOLECULAR DYNAMICS SIMULATIONS; PARALLEL SCALABILITY; PLESSET PERTURBATION THEORY;

ENERGY CONSERVATION;

EID: 84928963422     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4919238     Document Type: Article

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