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Time-dependent density functional theory
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11	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
12	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
13	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
14	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
15	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
16	Time-dependent density functional theory for open systems with a positivitypreserving decomposition scheme for environment spectral functions RuLin Wang, Xiao Zheng, YanHo Kwok, Hang Xie, GuanHua Chen, and ChiYung Yam Ci Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2015-04-21 18:39:15 Computational chemistry Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Relaxation Graphene Chemistry Physics Quantum mechanics
17	PHYSICAL REVIEW B 76, 045114 共2007兲 Linear scaling time-dependent density-functional tight-binding method for absorption spectra of large systems Fan Wang, Chi Yung Yam, and GuanHua Chen* Department of Chemistry, Th Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Computational chemistry Quantum chemistry Theoretical chemistry Matrix theory Numerical linear algebra Matrix Time-dependent density functional theory Eigenvalues and eigenvectors Diagonalizable matrix Algebra Mathematics Linear algebra
18	32ème forum ORAP F R O M R E S E AR C H T O I N D U S T R Y 10 octobre 2013 – Maison de la Simulation, Saclay, France ELECTRONIC STRUCTURE CALCULATIONS Add to Reading List Source URL: www.irisa.fr Language: English - Date: 2013-10-14 08:00:36 Theoretical chemistry Quantum chemistry Computational chemistry Computational physics Kohn–Sham equations Schrödinger equation Electron Eigenvalues and eigenvectors Time-dependent density functional theory Physics Chemistry Density functional theory
19	Chapter 2 Quantum Transport Simulations Based on Time Dependent Density Functional Theory Thomas A. Niehaus and GuanHua Chen Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-10-15 23:42:18 Quantum chemistry Theoretical chemistry Charge carriers Quantum mechanics Electron Kohn–Sham equations Runge–Gross theorem Time-dependent density functional theory Octopus Physics Chemistry Density functional theory
20	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

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