Hartree

Results: 165



#Item
31Computational science / Theoretical chemistry / Numerical analysis / Computational physics / Partial differential equations / Computational electromagnetics / Computational chemistry / Algorithm / Hartree–Fock method / Science / Chemistry / Mathematics

Advanced Scientific Computing Research FY 2004 Accomplishment

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Source URL: www.csm.ornl.gov

Language: English - Date: 2006-06-15 16:48:14
32Theoretical chemistry / Crystal / Quantum chemistry / Hartree–Fock method / ACES / Ab initio quantum chemistry methods / Anthony E. Siegman / ReaxFF / Chemistry / Science / Computational chemistry

Microsoft Word - Harris.doc

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Source URL: www.qtp.ufl.edu

Language: English - Date: 2006-08-18 00:00:00
33

IUPAC Gold Book - Hartree energy

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Source URL: goldbook.iupac.org

- Date: 2014-02-24 10:22:06
    34

    Cliff Brereton – Director, Hartree Centre 4 FORCES OF CHANGE @c11ffb

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    Source URL: vscentrum.be

    Language: English - Date: 2015-05-12 07:59:30
      35Quantum chemistry / Theoretical chemistry / Molecular physics / Computational chemistry / Atomic orbital / Fortran / Electron configuration / Hartree–Fock method / Fine structure / Chemistry / Physics / Atomic physics

      INPUT DATA FOR RELATIVISTIC ATOMIC PROGRAM MCDFGME VJ.P. Desclaux1 15 Chemin du Billery, 38360 SASSENAGE France P. Indelicato2 Laboratoire Kastler Brossel,

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      Source URL: dirac.spectro.jussieu.fr

      Language: English - Date: 2005-08-15 08:04:10
      36Computational chemistry / Theoretical chemistry / Atomic physics / Quantum mechanics / Multi-configurational self-consistent field / Slater determinant / Hartree–Fock method / Atomic orbital / Wave function / Chemistry / Physics / Quantum chemistry

      AN INTRODUCTION TO MCSCF: PART 2 ORBITAL APPROXIMATION Ψh p = ψ 1(1)ψ2(2)…ψN(N)

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      Source URL: www.msg.ameslab.gov

      Language: English - Date: 2013-11-12 12:31:45
      37Theoretical chemistry / Douglas Hartree / Computational chemistry / Quantum chemistry / Charlotte Froese Fischer / Bertha Swirles / John C. Slater / Density functional theory / Ralph H. Fowler / Chemistry / Science / Fellows of the Royal Society

      MOLECULAR PHYSICS, 2000, VOL. 98, NO. 16, 1043 ± 1050 Reminiscences at the end of the Century CHARLOTTE FROESE FISCHER Department of Computer Science, Vanderbilt University, Nashville, TN 37235, USA I was born on 21 Se

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      Source URL: www.vuse.vanderbilt.edu

      Language: English - Date: 2000-09-24 12:44:22
      38Quantum chemistry / Chemical bonding / Chemical properties / Molecular physics / Atomic orbital / Electron configuration / Debye length / Plasma / Ionization energy / Chemistry / Physics / Atomic physics

      PHYSICAL REVIEW A 86, Effect of screening by external charges on the atomic orbitals and photoinduced processes within the Hartree-Fock-Slater atom Robert Thiele,1,* Sang-Kil Son,1 Beata Ziaja,1,2 and Robi

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      Source URL: www.zannavi.com

      Language: English - Date: 2012-09-17 17:07:32
      39Computational chemistry / Hartree–Fock method / Crystal / Molecular orbital theory / Ab initio quantum chemistry methods / Electronic correlation / Coupled cluster / Molecular orbital / Full configuration interaction / Chemistry / Quantum chemistry / Theoretical chemistry

      Pure & Appl. Chem.,Vol. 68, No. 2, pp, 1996. Printed in Great Britain. INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY PHYSICAL CHEMISTRY DIVISION

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      Source URL: old.iupac.org

      Language: English - Date: 2004-06-03 11:40:20
      40Quantum chemistry / Atomic physics / Density functional theory / Hybrid functional / Computational chemistry / Electronic band structure / Hartree–Fock method / Ionization energy / Chemistry / Physics / Theoretical chemistry

      Screened Coulomb Hybrid Density Functionals

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      Source URL: scuseria.rice.edu

      Language: English - Date: 2004-04-25 20:26:47
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