Hartree–Fock method

Results: 109



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41Computational chemistry / Theoretical chemistry / Critical thinking / Learning / Philosophy of education / Thought / Hartree–Fock method / Quantum mechanics / Logic / Science / Chemistry / Education

Course Enquiry CHEM2504 Physical chemistry I: introduction to quantum chemistry (6 credits) Academic Year 2014

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Source URL: www.chemistry.hku.hk

Language: English - Date: 2014-08-13 22:25:51
42Computational chemistry / Theoretical chemistry / Critical thinking / Learning / Philosophy of education / Thought / Hartree–Fock method / Quantum mechanics / Logic / Science / Chemistry / Education

Course Enquiry CHEM3541 Physical chemistry II: introduction to quantum chemistry (6 credits) Academic Year 2014

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Source URL: www.chemistry.hku.hk

Language: English - Date: 2014-08-13 22:20:43
43Quantum chemistry / Atomic physics / Quadratic configuration interaction / Ab initio quantum chemistry methods / Hartree–Fock method / Post-Hartree–Fock / Gaussian / Density functional theory / Dirac / Chemistry / Computational chemistry / Theoretical chemistry

A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Miquel Sola`, Jordi Mestres, Ramon Carbo´, and Miquel

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Source URL: dugi-doc.udg.edu

Language: English - Date: 2013-05-13 07:54:16
44Quantum mechanics / Chemical bonding / Atomic physics / Computational chemistry / Electron / Electron localization function / Density functional theory / Electronic correlation / Hartree–Fock method / Physics / Chemistry / Quantum chemistry

THE JOURNAL OF CHEMICAL PHYSICS 125, 024301 共2006兲 Electron localization function at the correlated level Eduard Matito Institut de Química Computacional, Universitat de Girona, 17071 Girona, Catalonia, Spain and D

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Source URL: dugi-doc.udg.edu

Language: English - Date: 2013-05-13 07:34:30
45Atomic physics / Quantum chemistry / Theoretical chemistry / Computational chemistry / Leo Kadanoff / Electronic correlation / Electron / Hartree–Fock method / Physics / Chemistry / Science

[removed]karsten Balzer

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Source URL: www.cfel.de

Language: English - Date: 2013-05-15 18:52:00
46Charge 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
47Chemical bonding / Atomic physics / Theoretical chemistry / Computational chemistry / Atomic orbital / Hartree–Fock method / Electron configuration / Quantum mechanics / Electron / Chemistry / Physics / Quantum chemistry

Are Orbitals Observable? Peter Mulder Abstract: In this paper I discuss the question whether orbitals can be observed or not. I argue that the answer depends on how the terms ‘orbitals’ and ‘observed’ are underst

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Source URL: hyle.org

Language: English - Date: 2013-03-20 15:09:15
48Spintronics / Computational chemistry / Rotational symmetry / Theoretical chemistry / Hartree–Fock method / Crystal / Relaxation / Spin / Electron / Physics / Chemistry / Atomic physics

PHYSICAL REVIEW B 87, [removed]Evolution of the persistent spin helix in the presence of Hartree-Fock fields Matthias C. L¨uffe,1 Jeroen Danon,1,2 and Tamara S. Nunner1 1

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Source URL: users.physik.fu-berlin.de

Language: English - Date: 2013-03-14 11:44:02
49Atomic physics / Theoretical chemistry / Molecular physics / Computational chemistry / Atomic orbital / Hartree–Fock method / Electron / Energy level / Molecular orbital / Chemistry / Physics / Quantum chemistry

Basic Books in Science Book 12 Quantum Mechanics of Many-Particle Systems:

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Source URL: www.learndev.org

Language: English - Date: 2014-05-18 04:22:58
50Vibronic 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
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