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Density functional theory
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51	MOLECULAR PHYSICS, 2000, VOL. 98, NO. 16, 1043 ± 1050 Reminiscences at the end of the Century CHARLOTTE FROESE FISCHER Department of Computer Science, Vanderbilt University, Nashville, TN 37235, USA I was born on 21 Se Add to Reading List Source URL: www.vuse.vanderbilt.edu Language: English - Date: 2000-09-24 12:44:22 Theoretical chemistry Douglas Hartree Computational chemistry Quantum chemistry Charlotte Froese Fischer Bertha Swirles John C. Slater Density functional theory Ralph H. Fowler Chemistry Science Fellows of the Royal Society
52	Simulation of Molecular ALC Spectra using Density Functional Theory Francis Pratt ISIS ISIS Muon User Meeting Add to Reading List Source URL: www.isis.stfc.ac.uk Language: English - Date: 2015-06-16 18:17:46 Science Atomic physics Hyperfine structure Muon spin spectroscopy Muon Tetracyanoquinodimethane Chemistry Physics Spectroscopy
53	September 21, S0129054112500153:55 WSPC/INSTRUCTION Add to Reading List Source URL: who.rocq.inria.fr Language: English - Date: 2012-10-03 03:32:31 Computer science Theory of computation Quantum mechanics Alan Turing Functional analysis Computable function Turing machine Church–Turing thesis Density matrix Computability theory Theoretical computer science Mathematics
54	Research report for a stay abroad at University at Buffalo from February to May 2014 Johannes H¨oller August 18, 2014 Abstract The excitation properties of small sodium clusters are investigated Add to Reading List Source URL: www.marshallplan.at Language: English - Date: 2015-02-11 05:56:25 Equations Schrödinger equation Jellium Connection Vehicle Identification Number Density functional theory Physics Quantum mechanics Partial differential equations
55	PROPERTIES OF THE GITTINS INDEX WITH APPLICATION TO OPTIMAL SCHEDULING Samuli Aalto1, Urtzi Ayesta2,3, Rhonda Righter4 1 Aalto University School of Science and Technology, Finland Add to Reading List Source URL: homepages.laas.fr Language: English - Date: 2012-01-01 05:05:35 Functional analysis Functions and mappings Decision theory Design of experiments Gittins index Monotonic function Function Probability density function Continuous function Mathematical analysis Mathematics Calculus
56	Attosecond and strong-field electron dynamics Irradiation of solvated « bio »molecules in clusters and - Microscopic mechanisms Add to Reading List Source URL: www.corinf.eu Language: English - Date: 2012-11-14 09:57:53 Ions Charge carriers Mass spectrometry Physical chemistry Electron Density functional theory Ionization Chemical bond Ion Chemistry Physics Quantum chemistry
57	On the Occasion of the 80th Birthday of Walter Kohn Walter Kohn receiving his Prize from the hands of His Majesty the King, Stockholm, c 1999 The Nobel Foundation, photo: Hans Mehlin) December 1999 (° Add to Reading List Source URL: www.physast.uga.edu Language: English - Date: 2004-02-13 11:08:52 Walter Kohn Kohn Roman Vishniac Akademisches Gymnasium Max Planck Density functional theory Deutsche Physikalische Gesellschaft Joaquin Mazdak Luttinger Condensed matter physics Physics Science Academia
58	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
59	Computational Methods Predict Thermochemistry and Kinetics of Biomass Derivatives on Transition Metals This research was conducted by the groups of Dion Vlachos, Jingguang Chen and Mark Barteau at the University of Delaw Add to Reading List Source URL: www.efrc.udel.edu Language: English - Date: 2013-11-05 12:37:03 Glycerol Ethylene Chemistry Matter Density functional theory
60	The Theoretical Toolbox to Describe the Electronic Structure of Surfaces Patrick Rinke Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6, DBerlin Add to Reading List Source URL: w0.rz-berlin.mpg.de Language: English - Date: 2012-04-17 07:33:44 Quantum mechanics Condensed matter physics Electronic band structure Crystal Hybrid functional Free electron model Local-density approximation Quantum chemistry Electron Physics Density functional theory Chemistry