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Ab initio quantum chemistry methods
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1	Gas phase vibrational spectroscopy of cold (TiO2)n− (n = 3–8) clusters Add to Reading List Source URL: bromine.cchem.berkeley.edu Language: English - Date: 2016-03-28 12:42:36 Chemistry Cluster chemistry Infrared spectroscopy Ab initio quantum chemistry methods Structural isomer Infrared
2	Theory 2.5 Director: Walter Thiel (born 1949) Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:49:05 Chemistry Theoretical chemistry Computational chemistry Post-HartreeFock methods Molecular modelling Ab initio quantum chemistry methods Max Planck Institute for Coal Research Semi-empirical quantum chemistry method Coupled cluster Molecular dynamics Quantum chemistry Density functional theory
3	User’s Guide and Developer’s Manual Preview July 27, 2016 Online: https://svn.qmcpack.org/svn/trunk/manual/qmcpack_manual.pdf Contents 1 Introduction Add to Reading List Source URL: svn.qmcpack.org Language: English - Date: 2016-07-27 17:01:04 Chemistry Quantum chemistry Computational chemistry Theoretical chemistry Computational physics Quantum Monte Carlo Variational Monte Carlo Ab initio quantum chemistry methods David Ceperley Monte Carlo method Jellium GAMESS
4	CH+5: The neverending story or the final word? Peter R. Schreiner, SeungJoon Kim, Henry F. Schaefer, and Paul von Ragué Schleyer Citation: J. Chem. Phys. 99, ); doi: View online: http://dx.doi Add to Reading List Source URL: wwwuser.gwdg.de Language: English Chemistry Post-HartreeFock methods Computational chemistry Theoretical chemistry Coupled cluster Quadratic configuration interaction Ab initio quantum chemistry methods Davidson correction Configuration interaction Molecular vibration
5	Subscriber access provided by UNIV MIKOLAJA KOPERNIKA Article Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2009-04-01 07:43:53 Chemistry Theoretical chemistry Computational chemistry Ab initio quantum chemistry methods Molecular dynamics Path integral molecular dynamics Spartan PQS
6	JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBERSEPTEMBER 2003 Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2003-09-16 07:19:22 Theoretical chemistry Gaseous signaling molecules Refrigerants Inorganic solvents Industrial gases Hydrogen bond Water dimer Ab initio quantum chemistry methods Ammonia Quantum chemistry Hydrogen Crystal
7	APPENDIX 2 List of selected sites at which QMS is carried out and prominent scientists.(EUROPE and AFRICA). Same order as in Section 3. Add to Reading List Source URL: www.iaqms.org Language: English - Date: 2010-02-28 06:25:03 Chemistry Theoretical chemistry Computational chemistry Molecular modelling Quantum chemistry Spartan Molecular dynamics Chemical physics Ab initio quantum chemistry methods Inorganic chemistry TURBOMOLE Molecule
8	CHEM 548 Molecular Electronic Structure Spring 2015 Room: Period: Noyes Laboratory 164 Add to Reading List Source URL: www.scs.illinois.edu Language: English - Date: 2015-01-19 11:13:15 Quantum chemistry Theoretical chemistry Computational chemistry HartreeFock method Crystal Molecular orbital theory Gaussian Density functional theory Many-body problem Size consistency and size extensivity Ab initio quantum chemistry methods MOLCAS
9	ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011 Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:28:35 Quantum chemistry Computational chemistry Theoretical chemistry Multi-configurational self-consistent field Electronic correlation GAMESS Complete active space Coupled cluster MOLCAS Configuration interaction Ab initio quantum chemistry methods NWChem
10	AN INTRODUCTION TO GAMESS See: www.msg.chem.iastate.edu GAMESS Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2015-03-03 15:53:44 Chemistry Computational chemistry GAMESS Post-HartreeFock methods Fragment molecular orbital Theoretical chemistry Quantum chemistry Ab initio quantum chemistry methods Coupled cluster PQS MOLCAS