HartreeFock method

Results: 17



#Item
1Chemistry / Physics / Quantum mechanics / Quantum chemistry / Emerging technologies / Quantum computing / Theoretical computer science / Computational physics / Monte Carlo method / Quantum dot / Quantum algorithm / HartreeFock method

Invited Talks 17 Stefan Heinrich FB Informatik, Geb

Add to Reading List

Source URL: mcm2001.sbg.ac.at

Language: English - Date: 2001-09-18 09:11:38
2Chemistry / Physics / Quantum mechanics / Density functional theory / Quantum chemistry / Atomic physics / Computational chemistry / Theoretical chemistry / HartreeFock method / Jellium / KohnSham equations / Crystal

Density Functional Theory for Emergents

Add to Reading List

Source URL: www.cond-mat.de

Language: English - Date: 2013-09-03 08:41:19
3Chemistry / Quantum chemistry / Theoretical chemistry / Computational chemistry / Computational physics / Molecular modelling / CarParrinello molecular dynamics / Molecular dynamics / Density functional theory / BornOppenheimer approximation / HartreeFock method / Path integral molecular dynamics

Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies

Add to Reading List

Source URL: ftp.theochem.rub.de

Language: English - Date: 2004-02-24 03:00:44
4Chemistry / Nature / Computational chemistry / Theoretical chemistry / Quantum chemistry / Chemical bonding / Atomic physics / Crystal / HartreeFock method / Azulene / MllerPlesset perturbation theory / Partial charge

Volume201, number I ,2,3,4 CHEMICAL PHYSICS LETTERS 1 January 1993

Add to Reading List

Source URL: wwwuser.gwdg.de

Language: English - Date: 2013-05-10 05:14:28
5Chemistry / Computing / United Kingdom / Science and technology in the United Kingdom / Data analysis / Hartree Centre / Fellows of the Royal Society / Douglas Hartree / Parallel computing / Science and Technology Facilities Council / Daresbury Laboratory / HartreeFock method

Industry Engagement at the STFC Hartree Centre Mike Ashworth STFC Hartree Centre and Scientific Computing Department

Add to Reading List

Source URL: casc.org

Language: English - Date: 2015-07-23 15:51:16
6Chemistry / Theoretical chemistry / Computational chemistry / Post-HartreeFock methods / Molecular modelling / Ab initio quantum chemistry methods / Max Planck Institute for Coal Research / Semi-empirical quantum chemistry method / Coupled cluster / Molecular dynamics / Quantum chemistry / Density functional theory

Theory 2.5 Director: Walter Thiel (born 1949)

Add to Reading List

Source URL: www.kofo.mpg.de

Language: English - Date: 2014-11-10 05:49:05
7Chemistry / Atomic physics / Spectroscopy / Computational chemistry / Vibronic spectroscopy / HartreeFock method / Electron affinity

J. Phys. Chem. A 2009, 113, 14439–Study of KrO- and KrO via Slow Photoelectron Velocity-Map Imaging Spectroscopy and ab Initio Calculations†

Add to Reading List

Source URL: bromine.cchem.berkeley.edu

Language: English - Date: 2009-12-23 22:26:56
8Chemistry / Computational chemistry / HartreeFock method / Quantum chemistry / Theoretical chemistry

Documenta Mathematica Gegr¨ undet 1996 durch die Deutsche Mathematiker-Vereinigung 1

Add to Reading List

Source URL: documenta.sagemath.org

Language: English - Date: 2002-05-29 09:17:08
9Chemistry / Physics / Computational chemistry / HartreeFock method / Quantum chemistry / Theoretical chemistry / Dirac equation

1 Documenta Math. Stability of the Relativistic Electron-Positron Field of Atoms in Hartree-Fock Approximation:

Add to Reading List

Source URL: documenta.sagemath.org

Language: English - Date: 2001-12-05 06:18:14
10Chemistry / Atomic physics / Quantum chemistry / Spectroscopy / Electron affinity / HartreeFock method

THE JOURNAL OF CHEMICAL PHYSICS 135, Study of RgS– and RgS (Rg = Ne, Ar, and Kr) via slow photoelectron velocity-map imaging spectroscopy and ab initio calculations Etienne Garand1,a) and Daniel M. Neuma

Add to Reading List

Source URL: bromine.cchem.berkeley.edu

Language: English - Date: 2011-07-08 16:35:39
UPDATE