HartreeFock method

Results: 17



#Item
11Quantum information science / Quantum computing / Models of computation / Fault-tolerant computer systems / Quantum error correction / Quantum circuit / Quantum gate / Qubit / Condensed matter physics / Controlled NOT gate / HartreeFock method

PHYSICAL REVIEW X 6, Scalable Quantum Simulation of Molecular Energies P. J. J. O’Malley,1,* R. Babbush,2,† I. D. Kivlichan,3 J. Romero,3 J. R. McClean,4 R. Barends,5 J. Kelly,5 P. Roushan,5 A. Tranter

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Source URL: web.physics.ucsb.edu

Language: English - Date: 2016-07-22 21:13:46
12Spectroscopy / Quantum chemistry / Atomic physics / Molecular physics / Chemical properties / Crystal / Infrared spectroscopy / HartreeFock method / Hot band / Absorption band / Energy level / FranckCondon principle

THE JOURNAL OF CHEMICAL PHYSICS 140, Vibronic structure of VO2 probed by slow photoelectron velocity-map imaging spectroscopy Jongjin B. Kim, Marissa L. Weichman, and Daniel M. Neumarka) Department of Chem

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Source URL: bromine.cchem.berkeley.edu

Language: English - Date: 2014-01-16 10:35:50
13Density functional theory / Condensed matter physics / Computational chemistry / Atomic physics / Quantum chemistry / Jellium / Electron / Free electron model / HartreeFock method / Dirac equation / Orbital-free density functional theory / Strictly-Correlated-Electrons density functional theory

Theory and Practice of Density-Functional Theory

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Source URL: www.cond-mat.de

Language: English - Date: 2014-05-26 12:52:52
14Density functional theory / Computational chemistry / Quantum chemistry / Theoretical chemistry / Atomic physics / Hybrid functional / Local-density approximation / Crystal / HartreeFock method / Electronic band structure / Electronic correlation / Jellium

Electronic Structure of Perovskites: Lessons from Hybrid Functionals

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Source URL: www.cond-mat.de

Language: English - Date: 2015-09-07 08:29:39
15Quantum chemistry / Theoretical chemistry / Computational chemistry / HartreeFock method / Crystal / Molecular orbital theory / Gaussian / Density functional theory / Many-body problem / Size consistency and size extensivity / Ab initio quantum chemistry methods / MOLCAS

CHEM 548 Molecular Electronic Structure Spring 2015 Room: Period: Noyes Laboratory 164

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Source URL: www.scs.illinois.edu

Language: English - Date: 2015-01-19 11:13:15
16Theoretical chemistry / Computational chemistry / Quantum chemistry / Ab initio quantum chemistry methods / TURBOMOLE / MOLPRO / Intermolecular force / Crystal / HartreeFock method / Spartan / PQS

The Quantum Chemistry Group (Hättig Research Group) Our group is working on a number of projects concerned with the accurate description of interactions between molecules and of molecules with surfaces, solvents and ex

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Source URL: www.theochem.ruhr-uni-bochum.de

Language: English - Date: 2015-07-02 11:19:29
17Chemistry / 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
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