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Multi-configurational self-consistent field
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1	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 Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:28:35 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
2	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 Add to Reading List Source URL: adjoint.colorado.edu Language: English - Date: 2004-10-13 15:35:33 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
3	Input DescriptionDecember 2014) ********************************* * Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2015-01-22 16:25:52 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
4	AN INTRODUCTION TO MCSCF: PART 2 ORBITAL APPROXIMATION Ψh p = ψ 1(1)ψ2(2)…ψN(N) Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:45 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
5	Microsoft Word - F-BRIDGE - D142 - revision 0 - Ab initio modelling of molecular actinide compounds - validated.doc Add to Reading List Source URL: www.f-bridge.eu Language: English - Date: 2013-04-23 06:25:16 Atomic physics Molecular physics Theoretical chemistry Computational chemistry Ionization energy MOLCAS Actinide Multi-configurational self-consistent field Molecular orbital Chemistry Physics Quantum chemistry
6	Isolated metal molecules for hydrogen storage: predicted MH12 species Add to Reading List Source URL: www.iphe.net Language: English - Date: 2011-02-16 17:21:59 Computational chemistry Atomic physics Hartree–Fock method Multi-configurational self-consistent field Gaussian Basis set Density functional theory Chemical bond Hybrid functional Chemistry Theoretical chemistry Quantum chemistry
7	Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB) Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:07 Chemical bonding Theoretical chemistry Molecular physics Ab initio quantum chemistry methods Valence bond theory Localized molecular orbitals Chemical bond Resonance Multi-configurational self-consistent field Chemistry Quantum chemistry Computational chemistry
8	Theor Chem Acc[removed]:211–218 DOI[removed]s00214[removed]z REGULAR ARTICLE Potential energy functions for an intramolecular proton transfer Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:04 Molecular modelling Molecular physics Physical chemistry Solvent effects Water model Force field Multi-configurational self-consistent field Chemical reaction Crystal Chemistry Intermolecular forces Computational chemistry
9	PHYSICAL REVIEW A 83, [removed]Hylleraas-configuration-interaction study of the 1 S ground state of neutral beryllium James S. Sims National Institute of Standards and Technology, Gaithersburg, Maryland[removed], Add to Reading List Source URL: www.nist.gov Language: English - Date: 2011-03-31 17:20:24 Computational chemistry Atomic physics Theoretical chemistry Hartree–Fock method Atomic orbital Electron Multi-configurational self-consistent field Quantum number Configuration state function Chemistry Physics Quantum chemistry
10	ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:28:35 Theoretical chemistry Multi-configurational self-consistent field Electronic correlation GAMESS Complete active space Configuration interaction Coupled cluster Multireference configuration interaction Molecular orbital Chemistry Computational chemistry Quantum chemistry