<--- Back to Details
First PageDocument Content
Quantum chemistry / Fragment molecular orbital / GAMESS / Coupled cluster / Electronic correlation / Ab initio quantum chemistry methods / Multi-configurational self-consistent field / Møller–Plesset perturbation theory / Hartree–Fock method / Chemistry / Computational chemistry / Theoretical chemistry
Date: 2013-06-18 13:15:37
Quantum chemistry
Fragment molecular orbital
GAMESS
Coupled cluster
Electronic correlation
Ab initio quantum chemistry methods
Multi-configurational self-consistent field
Møller–Plesset perturbation theory
Hartree–Fock method
Chemistry
Computational chemistry
Theoretical chemistry

Input Description 2-1

Add to Reading List

Source URL: www.msg.chem.iastate.edu

Download Document from Source Website

File Size: 1,33 MB

Share Document on Facebook

Similar Documents

Quantum chemistry / Computational chemistry / Theoretical chemistry / Multi-configurational self-consistent field / Electronic correlation / GAMESS / Complete active space / Coupled cluster / MOLCAS / Configuration interaction / Ab initio quantum chemistry methods / NWChem

ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011

DocID: 1oE3G - View Document

Computational chemistry / Theoretical chemistry / Molecular physics / Multi-configurational self-consistent field / MOLCAS / Molecular orbital / Electronic correlation / Hybrid functional / Bond-dissociation energy / Chemistry / Quantum chemistry / Chemical bonding

Published on WebAre 1,5-Disubstituted Semibullvalenes that Have C2v Equilibrium Geometries Necessarily Bishomoaromatic? Eric C. Brown,* Daven K. Henze, and Weston Thatcher Borden Contribution from the Depart

DocID: 1gCVo - View Document

Quantum chemistry / Atomic physics / Computational physics / Fragment molecular orbital / GAMESS / Coupled cluster / Multi-configurational self-consistent field / Electronic correlation / Møller–Plesset perturbation theory / Chemistry / Computational chemistry / Theoretical chemistry

Input DescriptionDecember 2014) ********************************* *

DocID: 1aOg1 - View Document

Computational chemistry / Theoretical chemistry / Atomic physics / Quantum mechanics / Multi-configurational self-consistent field / Slater determinant / Hartree–Fock method / Atomic orbital / Wave function / Chemistry / Physics / Quantum chemistry

AN INTRODUCTION TO MCSCF: PART 2 ORBITAL APPROXIMATION Ψh p = ψ 1(1)ψ2(2)…ψN(N)

DocID: 1ayc4 - View Document

Atomic physics / Molecular physics / Theoretical chemistry / Computational chemistry / Ionization energy / MOLCAS / Actinide / Multi-configurational self-consistent field / Molecular orbital / Chemistry / Physics / Quantum chemistry

Microsoft Word - F-BRIDGE - D142 - revision 0 - Ab initio modelling of molecular actinide compounds - validated.doc

DocID: 12OuI - View Document