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Hartree–Fock method
Results: 109

#	Item
31	THE JOURNAL OF CHEMICAL PHYSICS 135, [removed]Time-dependent density functional theory based Ehrenfest dynamics Fan Wang,1,2 Chi Yung Yam,2 LiHong Hu,2,3 and GuanHua Chen2,a) 1 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-11-17 00:30:44 Theoretical chemistry Computational chemistry Computational physics Atomic physics Time-dependent density functional theory Hartree–Fock method Density functional theory Molecular dynamics Matrix Chemistry Physics Quantum chemistry
32	THE JOURNAL OF CHEMICAL PHYSICS 128, 234108 共2008兲 The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field Wangshen Xie, Lingchun Song, Donald Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Theoretical chemistry Basis set Hartree–Fock method Tight binding Atomic orbital Molecular orbital Molecular dynamics Conjugated system Force field Chemistry Quantum chemistry Computational chemistry
33	ohio2/yjp-yjp/yjp-yjp/yjp99907/yjp5958d07z xppws 23:ver[removed]:10 Msc: jp-2008-04512f TEID: kbg00 BATID: jp10c111 J. Phys. Chem. B XXXX, xxx, [removed] Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Molecular modelling Austin Model 1 Molecular dynamics Force field Fragment molecular orbital QM/MM Hartree–Fock method Mulliken population analysis NDDO Chemistry Computational chemistry Quantum chemistry
34	THE JOURNAL OF CHEMICAL PHYSICS 134, [removed]Communication: Linear-expansion shooting techniques for accelerating self-consistent field convergence Yan Alexander Wang,1,a) Chi Yung Yam,2 Ya Kun Chen,1 and GuanHua Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-08-31 09:27:57 Numerical linear algebra Computational chemistry Computational physics DIIS Hartree–Fock method Matrix Chemistry Quantum chemistry Physics
35	PhiSX: The electronic structure of matter Add to Reading List Source URL: orion.pt.tu-clausthal.de Language: English - Date: 2013-10-06 18:37:21 Quantum mechanics Computational chemistry Theoretical chemistry Atomic physics Hartree–Fock method Density functional theory Slater determinant Schrödinger equation Propagator Physics Chemistry Quantum chemistry
36	More quantum chemistry with BOINC Martin Korth Theory of Condensed Matter group, Cavendish Laboratory University of Cambridge The 6th BOINC Workshop — [removed] Add to Reading List Source URL: boinc.berkeley.edu Language: English - Date: 2010-09-02 04:26:29 Theoretical chemistry QM/MM Hartree–Fock method Ab initio quantum chemistry methods Density functional theory Quantum chemistry ONIOM Chemistry Computational chemistry Science
37	EMPIRE™ (Available in Q4, 2012) EMPIRE™ is an entirely new parallel NNDO-based semiempirical molecular orbital (MO) program from Cepos InSilico designed for use on modern multi-core desktop machines or for very large Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2012-08-03 17:31:33 Theoretical chemistry PM3 Hartree–Fock method AM1* MNDO Multi-core processor Molecular orbital Chemistry Quantum chemistry Computational chemistry
38	12 UserManual TM © 2013.Copyri Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2014-08-05 18:18:29 PM3 Adamantane NDDO Hartree–Fock method File MNDO Data file Z-matrix Chemistry Computational chemistry XYZ file format
39	PDF Document Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-09-01 06:04:46 Computational physics Quantum chemistry Theoretical chemistry Density functional theory Time-dependent density functional theory Hartree–Fock method Matrix Chemistry Physics Computational chemistry
40	Additional background material on the Nobel Prize in Chemistry 1998 The Royal Swedish Academy of Sciences has decided to award the 1998 Nobel Prize in Chemistry with one half to Professor WALTER KOHN, University of Calif Add to Reading List Source URL: www.nobelprize.org Language: English - Date: 2012-05-11 07:22:51 Quantum chemistry Hartree–Fock method Crystal Density functional theory Ab initio quantum chemistry methods John Pople Semi-empirical quantum chemistry method Gaussian Walter Kohn Chemistry Theoretical chemistry Computational chemistry

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