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Time-dependent density functional theory
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1	ER-flow Application Description Template Name: TD UNI Type: workflow Application domain: Computational chemistry, quantum chemistry Add to Reading List Source URL: www.erflow.eu Language: English Time-dependent density functional theory Computing Chemistry UNICORE Disk formatting
2	Dissemination Activities List of publications resulting from CORINF research M. Alagia, E. Bodo, P. Decleva, S. Falcinelli, A. Ponzi, R. Richter, and S. Stranges “The soft X-ray absorption spectrum of the allyl free ra Add to Reading List Source URL: www.corinf.eu Language: English - Date: 2014-11-06 03:56:28 Quantum chemistry Environmental chemistry Materials science Spectroscopy X-ray absorption fine structure Time-dependent density functional theory Superconducting quantum computing Magnon Physics Chemistry Science
3	ARTICLE pubs.acs.org/JPCA TD-CI Simulation of the Electronic Optical Response of Molecules in Intense Fields II: Comparison of DFT Functionals and EOM-CCSD Jason A. Sonk and H. Bernhard Schlegel* Add to Reading List Source URL: chem.wayne.edu Language: English - Date: 2012-01-05 13:44:13 Hybrid functional Time-dependent density functional theory Crystal Chemistry Density functional theory Physics
4	Time-dependent density functional theory calculations to guide the development of modified organic scintillating materials Lindsay Shuller-Nickles Clemson University Shaniqua Young (SCSU), Ayman Seliman (CU), Add to Reading List Source URL: www.rrmc.info Language: English - Date: 2014-12-28 19:28:09 Density functional theory Quantum mechanics Computational chemistry Quantum chemistry Theoretical chemistry Time-dependent density functional theory Schrödinger equation Excited state Physics Chemistry Science
5	PHYSICAL REVIEW B 87, First-principles time-dependent quantum transport theory Yu Zhang, Shuguang Chen, and GuanHua Chen* Department of Chemistry, The University of Hong Kong, Hong Kong, China (Received 21 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2013-04-11 11:00:48 Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Chemistry Physics Computational chemistry
6	View Online PCCP Dynamic Article Links Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-08-31 09:11:14 Time-dependent density functional theory Runge–Gross theorem Analytic function Kohn–Sham equations Anthony E. Siegman Chemistry Density functional theory Physics
7	J. Phys. Chem. C 2008, 112, 16655–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
8	SCIENCE CHINA Chemistry • REVIEWS • Progress of Projects Supported by NSFC · SPECIAL ISSUE · Chemical Methodology January 2014 Vol.57 No.1: 70–77 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2015-04-22 02:25:20 Computational chemistry Theoretical chemistry Quantum chemistry Computational physics Atomic physics Time-dependent density functional theory Ab initio quantum chemistry methods Hartree–Fock method Density functional theory Chemistry Physics Science
9	THE UNIVERSITY OF HONG KONG Department of Chemistry, Physics and Strategic Theme on Computational Sciences JOINT SEMINAR Pragmatic Approaches in Time-dependent Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2009-11-30 04:30:27 Quantum chemistry Computational physics Density functional theory Computational chemistry Theoretical chemistry Time-dependent density functional theory Quantum dot Chemistry Physics Quantum mechanics
10	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