Density functional theory - PDFSEARCH.IO - Document Search Engine

Density functional theory
Results: 328

#	Item
281	Electronic Structure of Condensed Matter David M. Ceperley Richard M. Martin • Goal: to solve THE many-body electronic structure problem in condensed matter Add to Reading List Source URL: www.mcc.uiuc.edu Language: English - Date: 2011-12-30 23:13:06 Electron Wigner crystal Density functional theory Free electron model Molecular dynamics Spin Crystal Paramagnetism Physics Spintronics Condensed matter physics
282	Density of periodic orbit measures for piecewise monotonic interval maps Peter Raith Let T : [0, 1] → [0, 1] be a piecewise monotonic map, this means there exists S a partition Z of [0, 1] into finitely many pairwise d Add to Reading List Source URL: www.imath.kiev.ua Language: English - Date: 2000-11-21 13:13:34 Invariant measure Monotonic function Piecewise Milnor–Thurston kneading theory Mathematical analysis Dynamical systems Functional analysis
283	Computational Chemical Dynamics of Complex Systems Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2010-06-15 10:33:32 Conjugated system Alkene Chemistry Density functional theory G-code
284	Nov. 30, 2010 Potential Energy Surfaces for Simulating Complex Chemical Processes Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-02-14 22:05:16 Chemistry Quantum electrodynamics Perturbation theory Density functional theory Electron Arieh Warshel Electronic band structure Physics Computational chemistry Mathematical analysis
285	Free Energy of Cataly/c Reac/ons by  Density Func/onal Theory  •  Interactions of transition Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-11-18 12:57:22 Density functional theory Hybrid functional Food energy
286	Gaussian 09 Revision D.01 Release Notes 4 June 2013 Starred items are new or updated for this revision Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:48 Theoretical chemistry Computational physics Basis set Hartree–Fock method Gaussian Density functional theory Time-dependent density functional theory Force field Crystal Chemistry Quantum chemistry Computational chemistry
287	Orbital-Dependent Density Functionals for Catalysis Pd interactions with polyenes in complexes Boris B. Averkiev, Yan Zhao, and Donald G. Truhlar, University of Minnesota Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-07-05 23:51:36 Density functional theory Hybrid functional
288	Integrated Tools for Computational Chemical Dynamics (PNNL) October 2010 Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-07-05 23:52:49 Computational chemistry Density functional theory Theoretical chemistry NWChem Implicit solvation Q-Chem CP2K Adsorption Chemistry Science Molecular modelling
289	New Density Functionals •  DFT is the most successful method for the calculation of the electronic Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-11-18 12:59:57 Computational chemistry Chemistry Functional State Spartan Physics Density functional theory Hybrid functional
290	Feb. 15, 2011  NSF research by Yan Zhao and Don Truhlar  Density func,onal theory is widely used in the computa,onal chemistry community, but the  Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-07-05 23:21:48 Stacking Fedora Unified Network Controller Chemistry Density functional theory Hybrid functional

UPDATE