Molecular Hamiltonian

Results: 50



#Item
1Quantum chemistry / Chemistry / Quantum mechanics / Physics / BornOppenheimer approximation / Molecular Hamiltonian / Diabatic / Schrdinger equation / Wave function / Adiabatic theorem

Molecular structure: Separating electronic and nuclear motion Notes on Quantum Mechanics http://quantum.bu.edu/notes/QuantumMechanics/MolecularStructure.pdf Last updated Tuesday, November 22, :03:05-05:00 Copyrigh

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Source URL: quantum.bu.edu

Language: English - Date: 2005-11-22 13:07:05
2Quantum chemistry / Chemistry / Physical chemistry / Physics / Lithuanian language / Ogonek / Molecular physics / Molecular Hamiltonian / Proto-Slavic / Avoided crossing

Molecular Propagation through Small Avoided Crossings of Electron Energy Levels George A. Hagedorn∗ Alain Joye †‡ Department of Mathematics and Center for Statistical Mechanics and Mathematical Physics

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Source URL: www.math.vt.edu

Language: English - Date: 2015-10-01 11:26:10
3Physics / Chemistry / Condensed matter physics / Quantum chemistry / Atomic physics / Magnetism / Spintronics / Exchange interaction / Hubbard model / Tight binding / Spinorbit interaction / Molecular Hamiltonian

Magnetism in Correlated Matter

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Source URL: www.cond-mat.de

Language: English - Date: 2015-09-07 08:29:42
4Physics / Quantum mechanics / Schrdinger equation / Free particle / Kinetic energy / Laws of science / Wave function / Particle in a box / Molecular Hamiltonian

TheSchrödingerEquation.nb

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Source URL: quantum.bu.edu

Language: English - Date: 2005-08-18 15:10:41
5Chemistry / Spectroscopy / Physics / Quantum chemistry / Nature / Molecular physics / Atomic physics / Forms of energy / Molecular Hamiltonian / Selection rule / BornOppenheimer approximation / Spinorbit interaction

Predissociation dynamics of the O2 B 3 S 2 u state: Vibrational state dependence of the product fine-structure distribution David J. Leahy,a) David L. Osborn,b) Douglas R. Cyr,c) and Daniel M. Neumarkd) Department of Che

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Source URL: bromine.cchem.berkeley.edu

Language: English - Date: 2008-09-07 17:21:56
6Molecular dynamics / Computational chemistry / State functions / Energy drift / Thermodynamics / Computational physics / Equipartition theorem / Verlet integration / Temperature / Hamiltonian mechanics / T / Periodic boundary conditions

Equipartition and the Calculation of Temperature in Biomolecular Simulations

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Source URL: www.deshawresearch.com

Language: English - Date: 2010-09-27 16:06:45
7Quantum chemistry / Molecular physics / Computability theory / operator / ALGOL 68 / Operator / R0 / Molecular Hamiltonian / BornOppenheimer approximation

Diatomic Molecules with Large Angular Momentum in the Born–Oppenheimer Approximation Sharon M. Hughes†∗ and George A. Hagedorn† Department of Mathematics and

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Source URL: www.math.vt.edu

Language: English - Date: 2008-09-03 19:26:34
8Chemistry / Quantum chemistry / BornOppenheimer approximation / Molecular Hamiltonian / Atomic orbital / Extended Hckel method / BornHuang approximation / HartreeFock method

AN INTRODUCTION TO QUANTUM CHEMISTRY Mark S. Gordon Iowa State University

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Source URL: www.msg.ameslab.gov

Language: English - Date: 2013-11-12 12:31:45
9Wigner quasi-probability distribution / Wave function / Momentum / Operator / Adiabatic theorem / Partial differential equation / Landau–Zener formula / Hamiltonian / Physics / Quantum mechanics / Μ operator

Single switch surface hopping for molecular dynamics with transitions Clotilde Fermanian Kammerer∗ Laboratoire d’Analyse et de Math´ematiques Appliqu´ees, UMR 8050, Universit´e Paris Est, 94010 Cr´eteil, France

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Source URL: www-m3.ma.tum.de

Language: English - Date: 2010-05-06 15:36:51
10Molecular Hamiltonian / Born–Oppenheimer approximation / Wave function / Wave packet / Flux / Probability current / Physics / Quantum mechanics / Quantum chemistry

kms_revised_march2010.dvi

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Source URL: www-m3.ma.tum.de

Language: English - Date: 2010-05-06 15:21:29
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