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Journal of Computational Physics
Results: 201

#	Item
91	JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBER[removed]OCTOBER 2004 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06 Computational chemistry Quantum chemistry Atomic physics Density functional theory Hybrid functional Hartree–Fock method Basis set Ab initio quantum chemistry methods Electronic correlation Chemistry Physics Theoretical chemistry
92	Copyright © 2006 American Scientiﬁc Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06 Density functional theory Computational chemistry Computational physics Quantum chemistry Theoretical chemistry Hybrid functional Hartree–Fock method Time-dependent density functional theory Crystal Chemistry Physics Quantum mechanics
93	THE JOURNAL OF CHEMICAL PHYSICS 133, [removed]s2010d Time-dependent density functional theory for quantum transport Xiao Zheng,1,2 GuanHua Chen,2,3,4,a! Yan Mo,1,2,5 SiuKong Koo,2 Heng Tian,2 ChiYung Yam,2 and YiJing Yan1 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Computational physics Computational chemistry Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Electronic band structure Types of radio emissions ABO blood group system Chemistry Physics Science
94	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
95	Copyright © 2006 American Scientiﬁc Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:09 Ordinary differential equations Oscillation Resonance Equipartition theorem Temperature Normal mode Physics Thermodynamics Carbon nanotube
96	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
97	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
98	Journal of Computational Physics[removed]–793 www.elsevier.com/locate/jcp Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. II. Applications to ellipses and ellipsoids Add to Reading List Source URL: cherrypit.princeton.edu Language: English - Date: 2008-12-08 18:20:01 Conic sections Transformation Ellipsoid Quadrics Surfaces Ellipse Rotation matrix Matrix Quaternion Algebra Geometry Mathematics
99	Journal of Computational Physics[removed]–597 www.elsevier.com/locate/jcp Modeling ion extraction from a free-plasma surface with a ﬂexible conformal mesh Stanley Humphries Jr Add to Reading List Source URL: www.fieldp.com Language: English Ion source Plasma Debye sheath Electric current Ion gun Duoplasmatron Plasma physics Physics Chemistry
100	Journal of Computational Physics 164, 204–[removed]doi:[removed]jcph[removed], available online at http://www.idealibrary.com on Adjoint Error Estimation and Grid Adaptation for Functional Outputs: Application to Qua Add to Reading List Source URL: raphael.mit.edu Language: English - Date: 2007-03-30 13:47:42 Environmental engineering Computational fluid dynamics Partial differential equation MEMO Model Calculus Mathematical analysis Mathematics

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