Car–Parrinello method

Results: 4



#Item
1Density functional theory / Car–Parrinello method

Electronic optimization Georg KRESSE ¨ Materialphysik and Center for Computational Material Science Institut fur Universit¨at Wien, Sensengasse 8, A-1090 Wien, Austria

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Source URL: cms.mpi.univie.ac.at

Language: English - Date: 2003-02-06 08:11:56
2Density functional theory / Computational chemistry / Quantum chemistry / Theoretical chemistry / Time-dependent density functional theory / Crystal / Perturbation theory / Spectrum / Car–Parrinello method / Physics / Chemistry / Science

DOI:[removed]C1A0802001 Atti dell’Accademia Peloritana dei Pericolanti Classe di Scienze Fisiche, Matematiche e Naturali Vol. LXXXVI, C1A0802001[removed]Adunanza del 29 novembre 2007

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Source URL: cab.unime.it

Language: English - Date: 2010-04-13 05:40:10
3Molecular modelling / Computational chemistry / Theoretical chemistry / CP2K / Molecular dynamics / Car–Parrinello method / Force field / Michele Parrinello / Ab initio quantum chemistry methods / Chemistry / Science / Density functional theory

University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch

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Source URL: www.zora.uzh.ch

Language: English - Date: 2010-11-29 09:01:51
4Science / Computational chemistry / Roberto Car / Car–Parrinello molecular dynamics / Car–Parrinello method / Molecular dynamics / International School for Advanced Studies / Ab initio quantum chemistry methods / Ab initio / Chemistry / Physics / Density functional theory

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Source URL: users.ictp.it

Language: English - Date: 2007-06-20 07:44:50
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