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Density functional theory
Results: 328

#	Item
271	Large spin splitting in the conduction band of transition metal dichalcogenide monolayers K. Ko´smider, J. W. Gonz´alez∗ , J. Fern´andez-Rossier† arXiv:1311.0049v2 [cond-mat.mtrl-sci] 5 Nov 2013 Add to Reading List Source URL: arxiv.org Language: English - Date: 2013-11-05 20:29:16 Condensed matter physics Quantum chemistry Crystal Electronic band structure RKKY interaction Tight binding Wannier function Angular momentum coupling Density functional theory Physics Chemistry Atomic physics
272	Electronic Supplementary Material Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-07-05 07:38:33 Quantum chemistry Density functional theory Computational chemistry Hybrid functional Ab initio quantum chemistry methods Crystal Stacking Gaussian Møller–Plesset perturbation theory Chemistry Chemical bonding Supramolecular chemistry
273	Ab initio density functional theory study of CF2HCl and its isotopic species Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 11:13:01 Density functional theory Hybrid functional Isotopic labeling Dipole Crystal Chemistry Physics Spectroscopy
274	Chemical Physics[removed]–210 Contents lists available at ScienceDirect Chemical Physics journal homepage: www.elsevier.com/locate/chemphys Add to Reading List Source URL: adatbank.transindex.ro Language: English - Date: 2011-06-28 10:31:52 Computational chemistry Quantum chemistry Chemical bonding Hydrogen bond Ab initio quantum chemistry methods Hybrid functional Density functional theory Electronic correlation Van der Waals force Chemistry Theoretical chemistry Intermolecular forces
275	Chapter 3 Foundations II: Measurement and Evolution[removed] Add to Reading List Source URL: www.theory.caltech.edu Language: English - Date: 2009-07-16 20:12:10 Linear algebra Functional analysis Quantum mechanics Operator theory Abstract algebra POVM Density matrix Hilbert space Operator Algebra Mathematics Physics
276	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.math.iupui.edu Language: English - Date: 2000-11-25 20:59:12 Invariant measure Monotonic function Piecewise Milnor–Thurston kneading theory Mathematical analysis Dynamical systems Functional analysis
277	ON THE DENSITY OF UNNORMALIZED TAMAGAWA NUMBERS OF ORTHOGONAL GROUPS III AKIHIKO YUKIE 1. Introduction This is part III of a series of three papers. In this series of papers, we determine the Add to Reading List Source URL: www.math.tohoku.ac.jp Language: English - Date: 2007-07-14 01:00:44 Diophantine geometry Analytic number theory Local zeta-function Riemann zeta function Igusa zeta-function Quadratic form Holomorphic functional calculus Abstract algebra Mathematics Algebra
278	TH ) N. Schunck1 , A. Baran2,6 , M. Kortelainen2,3 , J. McDonnell2,3 , J. Mor´ Add to Reading List Source URL: www.medicine-science.net23.net Language: English - Date: 2013-02-01 02:12:58 Density functional theory Nuclear structure Matrix Tensor Vector space Nuclear fission Nuclear fusion Physics Algebra Nuclear chemistry
279	FRG: Multiscale Simulation of Atomistic Processes in Nanostructured Materials Rajiv K. Kalia, Aiichiro Nakano & Priya Vashishta Concurrent Computing Laboratory for Materials Simulations Dept. of Physics, Dept. of Compute Add to Reading List Source URL: www.mcc.uiuc.edu Language: English - Date: 2011-12-30 23:13:05 Theoretical chemistry Science Molecular dynamics Crystal Density functional theory Multigrid method Quantum mechanics Chemistry Computational chemistry Molecular modelling
280	Tools and Methods for Multiscale Biomolecular Simulations Celeste Sagui Department of Physics, NC State University, Raleigh, NC Outline Add to Reading List Source URL: www.mcc.uiuc.edu Language: English - Date: 2011-12-30 23:13:08 Theoretical chemistry Multigrid method Numerical analysis Force field Ewald summation Implicit solvation Ab initio quantum chemistry methods Density functional theory AMBER Chemistry Computational chemistry Molecular modelling

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