Density functional theory - PDFSEARCH.IO - Document Search Engine

Density functional theory
Results: 328

#	Item
101	PHYSICAL REVIEW B 75, 195127 共2007兲 Time-dependent density-functional theory for open systems Xiao Zheng,1 Fan Wang,1 Chi Yung Yam,1 Yan Mo,1 and GuanHua Chen1,2,* 1Department Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:05 Runge–Gross theorem Current density Baselines of the Chinese territorial sea Physics Density functional theory Relaxation
102	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
103	doi:j.cplett Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06 Density functional theory Hybrid functional Neuroscience Physics Cybernetics Gaussian Synaptic weight Backpropagation Neural networks Science Computational neuroscience
104	THE JOURNAL OF CHEMICAL PHYSICS 126, 144101 共2007兲 Improving the accuracy of density-functional theory calculation: The genetic algorithm and neural network approach Hui Li, LiLi Shi, Min Zhang, and Zhongmin Sua兲 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06
105	JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBEROCTOBER 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
106	THE JOURNAL OF CHEMICAL PHYSICS 133, 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
107	Time-dependent density functional theory quantum transport simulation in nonorthogonal basis Yan Ho Kwok, Hang Xie, Chi Yung Yam, Xiao Zheng, and Guan Hua Chen Citation: The Journal of Chemical Physics 139, ) Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2015-04-21 18:39:08 Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Chemistry Physics Computational chemistry
108	THE JOURNAL OF CHEMICAL PHYSICS 126, 244102 共2007兲 Time-dependent density-functional theory/localized density matrix method for dynamic hyperpolarizability Fan Wang, Chi Yung Yam, and GuanHua Chena兲 Department of Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-11-17 00:23:59 Nuclear magnetic resonance Relaxation Baselines of the Chinese territorial sea
109	Chemical Physics–77 Contents lists available at ScienceDirect Chemical Physics journal homepage: www.elsevier.com/locate/chemphys Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:48:56 Theoretical chemistry Quantum chemistry Time-dependent density functional theory Density functional theory Molecular Hamiltonian Electronic band structure Basis set Ab initio quantum chemistry methods Molecular dynamics Chemistry Physics Computational chemistry
110	Systematics of Nuclear Surface Vibrations in Deformed Nuclei Jonathan Engel (PI) Jun Terasaki (co-PI) Abstract Modern nuclear ground-state density-functional theory (DFT) works best in heavy Add to Reading List Source URL: www.unedf.org Language: English - Date: 2010-06-18 07:20:02 Nucleosynthesis Astrophysics Nuclear chemistry Supernovae Nuclear structure Density functional theory Nuclear drip line R-process Atomic nucleus Physics Particle physics Nuclear physics

UPDATE