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GAMESS / Fragment molecular orbital / MNDO / PM3 / MPQC / Electronic correlation / Multi-configurational self-consistent field / Chemistry / Computational chemistry / Science


Document Date: 2013-05-30 17:29:43

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Company

IBM / Lawrence Berkeley Laboratory / /

Event

Labor Issues / /

Facility

Vector Facility / National Institute / Lawrence Berkeley Laboratory / TCGMSG library of Robert Harrison / Iowa State University / Xiamen University / Australian National University / North Dakota State University / University of California / /

IndustryTerm

molecule builder / potential energy surfaces / analytic energy gradients / quantum chemical computations / energy gradient / minimum energy crossing point / energy / determinant technology / electron correlation energy correction / transition state search / energy hessian / energy analysis / potential energy surface / gas phase / energy components g. / /

OperatingSystem

MAC OS X / Linux / Microsoft Windows / /

Organization

M.W.Schmidt Chapter / University of California / DOE / Xiamen University / National Science Foundation / Iowa State University / SS(V) / North Dakota State University / Air Force office of Scientific Research / National Institute for Advanced Industrial Science and Technology / General Atomic and Molecular Electronic Structure System GAMESS User's Guide Department of Chemistry Iowa State University Ames / Department of Defense / Australian National University / /

Person

Mark Gordon / Dmitri Fedorov / Theresa Windus / Ryan Olson / Jan Jensen / Michel Dupuis / Emeritus Klaus Ruedenberg / Wei Wu / /

Position

General / author / Input Description Input Examples Further Information Programmer / Professor Emeritus / Professor / /

ProgrammingLanguage

VB / /

ProvinceOrState

California / Iowa / /

PublishedMedium

Elsevier / /

Technology

Linux / Computational Chemistry / determinant technology / simulation / /

URL

http /

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