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Hartree
Results: 165

#	Item
121	Mathieu LEWIN D´epartement de Math´ematiques Universit´e de Cergy-Pontoise / Saint-Martin 2, avenue Adolphe Chauvin[removed]CERGY-PONTOISE Cedex FRANCE Add to Reading List Source URL: lewin.u-cergy.fr Language: English - Date: 2014-05-17 07:48:03 Quantum mechanics Hartree–Fock method Quantum chemistry Theoretical chemistry Quantum field theory Physics Chemistry Science
122	rsta.royalsocietypublishing.org Excited states properties of organic molecules: from density functional theory to the GW and Bethe–Salpeter Add to Reading List Source URL: attaccalite.altervista.org Language: English - Date: 2014-02-25 16:00:56 Computational chemistry Theoretical chemistry Density functional theory Computational physics Hybrid functional Crystal Time-dependent density functional theory Hartree–Fock method Electronic band structure Chemistry Physics Quantum chemistry
123	Fundamental Physical Constants / Naturkonstanten Note: This page requires a browser capable of math mode, e.g., Arena Version of this page not using math mode / Version ohne "math mode" PostScript Version (rendered by ht Add to Reading List Source URL: www.chemie.fu-berlin.de Language: English - Date: 2002-11-07 14:05:22 Magnetism Gyromagnetic ratio Bohr magneton Planck constant Nuclear magneton Dimensionless physical constant Electron magnetic dipole moment Electron paramagnetic resonance Hartree Physics Physical constants Atomic physics
124	LOWDIN’S REMARKS ON THE AUFBAU PRINCIPLE AND A PHILOSOPHER’S VIEW OF AB INITIO QUANTUM CHEMISTRY Add to Reading List Source URL: www.chem.ucla.edu Language: English - Date: 2003-10-27 15:48:09 Atomic physics Quantum chemistry Computational chemistry Quantum mechanics Ab initio quantum chemistry methods Electron configuration Aufbau principle Hartree–Fock method Atomic orbital Chemistry Physics Theoretical chemistry
125	Philosophy of Chemistry—A New Interdisciplinary Field? Eric R. Scerri Department of Chemistry, Purdue University, West Lafayette, IN 47907; [removed] What could possibly be the connection between chemistry and Add to Reading List Source URL: www.chem.ucla.edu Language: English - Date: 2003-10-25 13:57:36 Quantum chemistry Theoretical chemistry Atomic physics Philosophy of chemistry Chemist Quantum mechanics Electron configuration Atomic orbital Hartree–Fock method Chemistry Science Physics
126	Have Orbitals Really Been Observed? Eric R. Scerri Department of Chemistry and Biochemistry, UCLA, Los Angeles, CA 90095; [removed] The purpose of this article is to comment on the pedagogical ramifications of Add to Reading List Source URL: www.chem.ucla.edu Language: English - Date: 2000-09-25 18:35:54 Chemical bonding Theoretical chemistry Computational chemistry Atomic physics Molecular orbital Atomic orbital Electron configuration Hartree–Fock method Chemical bond Chemistry Physics Quantum chemistry
127	BSSE-Free Description of Intermolecular Force Constants in Hydrogen Fluoride and Water Dimers A. BENDE,1,* M. KNAPP-MOHAMMADY,2 S. SUHAI2 1 Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 11:14:47 Quantum chemistry Basis set superposition error Møller–Plesset perturbation theory Ab initio quantum chemistry methods Basis set Water dimer Hartree–Fock method PM3 Perturbation theory Chemistry Computational chemistry Theoretical chemistry
128	BSSE-Free Description of the Formamide Dimers A. BENDE,1 Á. VIBÓK,1 G. J. HALÁSZ,2 S. SUHAI3 1 University of Debrecen, Department of Theoretical Physics, H-4010 Debrecen, Hungary Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 11:15:27 Theoretical chemistry Basis set superposition error Møller–Plesset perturbation theory Hartree–Fock method Interaction energy Basis set MPEG-1 Audio Layer II Quantum chemistry composite methods Chemistry Computational chemistry Quantum chemistry
129	Ab Initio Study of the Ammonia–Ammonia Dimer: BSSE-Free Structures and Intermolecular Harmonic Vibrational Frequencies ´ . VIBO ´ K,1 G. J. HALA Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:47:05 Quantum chemistry Atomic physics Hartree–Fock method Møller–Plesset perturbation theory Ab initio quantum chemistry methods Basis set superposition error Gaussian Water dimer Electronic correlation Chemistry Computational chemistry Theoretical chemistry
130	Theoretical Study of Hydrogen Bonds Between Acetylene and Selected Proton Donor Systems ´ . VIBO ´ K,2 G. J. HALA ´ SZ,3 S. SUHAI4 Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:46:39 Quantum chemistry Møller–Plesset perturbation theory Hartree–Fock method Basis set superposition error MP2 MPEG-1 Audio Layer II Molecular orbital Gaussian Perturbation theory Chemistry Computational chemistry Theoretical chemistry