Density functional theory - PDFSEARCH.IO - Document Search Engine

Density functional theory
Results: 328

#	Item
151	First-Principles Method for Open Electronic Systems Xiao Zheng and GuanHua Chen∗ Department of Chemistry, The University of Hong Kong, Hong Kong, China (Dated: September 29, [removed]arXiv:physics[removed]v1 4 Feb 2005 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:05 Quantum mechanics Density functional theory Physical quantity Electron density Relaxation Time-dependent density functional theory Physics Chemistry Quantum chemistry
152	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
153	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
154	JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBER 22 8 DECEMBER 2003 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:05 Density functional theory Hybrid functional
155	J. Phys. Chem. C 2008, 112, 16655–[removed]Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Theoretical chemistry Dye-sensitized solar cells Ultraviolet radiation Crystal Time-dependent density functional theory Molecular orbital Titanium dioxide Chemistry Computational chemistry Quantum chemistry
156	Chemical Physics[removed]–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
157	Max Planck Institute of Microstructure Physics Theory Department NanoDMFT: Dynamical Mean-Field Theory for strongly correlated electrons at the nanoscale D. Jacob Add to Reading List Source URL: www2.mpi-halle.mpg.de Language: English - Date: 2011-11-07 04:19:04 Heavy fermion Electronic correlation Kondo Electron Density functional theory Magnetism Kondo model Dynamical mean field theory Physics Condensed matter physics Kondo effect
158	Max Planck Institute of Microstructure Physics Theory Department Reduced density matrix functional theory: An ab-initio approach describing strong (and weak) correlations S. Sharma, J.K. Dewhurst, T. Baldsiefen, F. Eich, Add to Reading List Source URL: www2.mpi-halle.mpg.de Language: English - Date: 2013-06-11 04:58:23 Density functional theory Local-density approximation Philosophy of science
159	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
160	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

UPDATE