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Hartree–Fock method
Results: 109

#	Item
51	arXiv:1412.3666v1 [physics.comp-ph] 11 Dec[removed]Photoionization of few electron systems with a hybrid Coupled Channels approach Vinay Pramod Majety, Alejandro Zielinski and Armin Scrinzi‡ Physics Department, Ludwig Ma Add to Reading List Source URL: arxiv.org Language: English - Date: 2014-12-11 20:29:42 Atomic physics Computational chemistry Theoretical chemistry Molecular physics Electron Schrödinger equation Hartree–Fock method Configuration interaction Ionization energy Chemistry Physics Quantum chemistry
52	i Wolfgang Schattke and Ricardo Díez Muiño: for Atoms, Molecules, Clusters, and Solids — [removed] — page 273 — le-tex i Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2013-10-24 23:12:26 Chemical bonding Atomic physics Computational chemistry Theoretical chemistry Electronic correlation Electronic band structure Hartree–Fock method Electron Density functional theory Chemistry Physics Quantum chemistry
53	ANNOUNCEMENT: Interested Members of the University Community are Invited to attend the Final Oral Examination for the Degree of Master of Science DOUG GRZETIC of the Department of Physics, on Friday, December 2, 2011 at Add to Reading List Source URL: www.physics.uoguelph.ca Language: English - Date: 2011-11-29 11:11:06 Computational chemistry Atomic physics Quantum chemistry Theoretical chemistry Hartree–Fock method Theory Chemistry Science Physics
54	Gaussian 09 Revision C.01 Release Notes 28 September 2011 Contents Features and Usage Notes: Rev C.01....................................................................................................................... Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Theoretical chemistry Computational physics Molecular modelling Gaussian Hartree–Fock method ONIOM Density functional theory Molecular mechanics Time-dependent density functional theory Chemistry Computational chemistry Quantum chemistry
55	Gaussian 09 Revision B.01 Release Notes Contents Feature and Usage Notes: Rev B ............................................................................................................................................ Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Computational chemistry Quantum chemistry Theoretical chemistry Density functional theory Computational physics Gaussian Hartree–Fock method ONIOM Hybrid functional Chemistry Physics Science
56	Gaussian 09 Revision A.02 Release Notes 13 May 2013 Usage Notes ♦ If CIS frequencies are to be used with the Herzberg-Teller or Franck-Condon-Herzberg-Teller analysis, the CIS frequencies mustbe done numerically (Freq= Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Theoretical chemistry Computational physics Quantum chemistry Gaussian Hartree–Fock method PM3 ACES Polarizable continuum model Density functional theory Chemistry Science Computational chemistry
57	CHEM 4660: Computational Chemistry CHEM 7800 A01 Topics in Theoretical Chemistry: Computational Chemistry I Course Syllabus – 2014 Instructors Georg Schreckenbach Office: 552 Parker Building Add to Reading List Source URL: home.cc.umanitoba.ca Language: English - Date: 2014-07-09 08:40:24 Theoretical chemistry Quantum chemistry Post-Hartree–Fock Molecular dynamics Chemist Hartree–Fock method Ab initio quantum chemistry methods Molecular modelling Molecular orbital theory Chemistry Computational chemistry Science
58	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
59	Halogenated Hydrocarbons and Halomethanediols: A Study of the Atmospheric Implications of Proposed Replacements for Chlorofluorocarbons (CFCs) Mónica Martínez-Avilés Add to Reading List Source URL: gcep.host.ualr.edu Language: English - Date: 2007-08-01 17:38:51 Ab initio quantum chemistry methods Ab initio Hartree–Fock method Force field Møller–Plesset perturbation theory Ozone Molecular dynamics Crystal Chemistry Computational chemistry Theoretical chemistry
60	The Modeling of the Fate and Transport of Environmental Pollutants Add to Reading List Source URL: www.epa.gov Language: English - Date: 2011-11-11 12:15:15 Quantum chemistry Theoretical chemistry PH Zwitterion Ion-association Chemistry Equilibrium chemistry Hartree–Fock method

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