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wien2k.at - WIEN 2k
WIEN 2k
Description: Fortran 90 code to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, among the ...
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Wien2k.At
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Langue: English
Thèmes du site:  programming
Universitetet i Oslo: Kjemisk institutt
Informasjon om det å studere kjemi, forskningsprosjekter og undervisning. Underlagt Matematisk-naturvitenskapelige fakultet.
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Gastropod fast radiative transfer operator for satellite rong>...rong>
Fortran 90 library of forward and gradient routines for fast radiative transfer calculations for the advanced infrared sounders.
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Gordon Group/GAMESS Homepage
An ab initio quantum chemistry package GAMESS. Developed by the Mark Gordon research group at Iowa State University. Site is not GAMESS-Uk.
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Molpro quantum chemistry package
Ab-initio Fortran 90 programs for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles.
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Jay Ponder Lab Home Page
Jay Ponder Lab Home Page
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TDDFT.org
Fortran 90 program for ab initio virtual experimentation on a range of systems. Electrons are described quantum-mechanically within the Density-Functional Theory rong>...rong>
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What is CP2K?
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3.1 / 5.0, Langue: English
Home: School of Chemistry, University of Leeds
Study undergraduate, postgraduate or PhDs in chemistry, chemical biology, colour science and chemical process research and development. Learn at University of Leeds rong>...rong>
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