Born–Oppenheimer approximation

Results: 26



#Item
11Computational chemistry / Molecular modelling / Quantum chemistry / Potential energy surface / Ab initio quantum chemistry methods / Force field / Density functional theory / Molecular mechanics / Born–Oppenheimer approximation / Chemistry / Theoretical chemistry / Intermolecular forces

Microsoft Word - review[removed]rev.doc

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Source URL: downloads.hindawi.com

Language: English - Date: 2014-08-28 17:27:51
12Science / Theoretical chemistry / Atomic physics / Introductory physics / Approximations / Atomic orbital / Born–Oppenheimer approximation / Quantum mechanics / Schrödinger equation / Chemistry / Physics / Quantum chemistry

Towards a Philosophy of Approximations in the ‘Exact’ Sciences

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Source URL: hyle.org

Language: English - Date: 2013-03-20 14:50:25
13Charge carriers / Atomic physics / Quantum electrodynamics / Electron / Leptons / Chemical bond / Hartree–Fock method / Born–Oppenheimer approximation / Matter wave / Physics / Chemistry / Quantum chemistry

Molecular Mechanics: The Ab Initio Foundation Ju Li GEM4 Summer School 2006 Cell and Molecular Mechanics in BioMedicine

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Source URL: www.openwetware.org

Language: English - Date: 2006-08-21 09:18:05
14Organometallic chemistry / Organic chemistry / Chemist / Ceric ammonium nitrate / Chemical equilibrium / Catalysis / Physical chemistry / Reagent / Chemical substance / Chemistry / Inorganic chemistry / Chemical reaction

M.Sc. SEMESTER-I C-101: INORGANIC CHEMISTRY 4 Credits 100 Marks 1. Quantum Chemistry and its applications (MO-VB Theory): Born-Oppenheimer approximation, Hydrogen Molecule ion. LCAO-Mo and VB treatments of hydrogen

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Source URL: www.saurashtrauniversity.edu

Language: English - Date: 2012-06-26 06:48:28
15Vibronic coupling / Diabatic / Born–Oppenheimer approximation / Multi-configuration time-dependent Hartree / Hartree–Fock method / Jahn–Teller effect / Conical intersection / Perturbation theory / Chemistry / Quantum chemistry / Physics

Fitting and Using Model Hamiltonian in

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Source URL: etheses.bham.ac.uk

Language: English - Date: 2012-11-26 12:13:35
16Computational chemistry / Science / Quantum mechanics / Theoretical chemistry / Davidson correction / ACES / Born–Oppenheimer approximation / Ab Initio / Perturbation theory / Chemistry / Physics / Quantum chemistry

The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data Harry Partridge and David W. Schwenke NASA Ames Research Center, Moffett F

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Source URL: history.arc.nasa.gov

Language: English - Date: 2014-06-16 15:21:21
17Quantum chemistry / Theoretical chemistry / Computational chemistry / Molecular physics / Quantum mechanics / Molecular dynamics / Schrödinger equation / Born–Oppenheimer approximation / Introduction to quantum mechanics / Chemistry / Physics / Science

1 1 Introduction Hans-Dieter Meyer, Fabien Gatti and Graham A. Worth

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Source URL: www.wiley-vch.de

Language: English - Date: 2009-08-26 21:03:07
18Science / Quantum mechanics / Computational chemistry / Theoretical chemistry / Molecular Hamiltonian / Born–Oppenheimer approximation / Density functional theory / Schrödinger equation / Crystal / Chemistry / Physics / Quantum chemistry

Ab initio computational methods for the prediction of stability, structure and properties of minerals at high pressure and high temperature conditions Mauro Prencipe Dip. Scienze Mineralogiche e Petrologiche – Universi

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Source URL: speakerd.s3.amazonaws.com

Language: English - Date: 2014-06-04 10:41:22
19Science / Spectroscopy / Molecular physics / Theoretical chemistry / Atomic physics / Molecular Hamiltonian / Born–Oppenheimer approximation / Molecular vibration / Energy level / Chemistry / Physics / Quantum chemistry

OTE/SPH OTE/SPH JWBK077-01 JWBK077-Aroca March 14, 2007

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Source URL: media.wiley.com

Language: English - Date: 2007-10-05 13:04:28
20Theoretical chemistry / Computational chemistry / Atomic physics / Hartree–Fock method / Density functional theory / Variational method / Born–Oppenheimer approximation / Electron / Crystal / Chemistry / Physics / Quantum chemistry

PDF Document

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Source URL: meche.mit.edu

Language: English - Date: 2012-05-09 14:16:04
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