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	Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures [My Copy] The Journal of Chemical Physics, Vol. 131, No. 3. (2009), 034103. by Luigi Genovese, Matthieu Ospici, Thierry Deutsch, Jean F. Méhaut, Alexey Neelov, Stefan Goedecker posted to dft gpgpu gpu nvidia by Fortran on 2009-07-20 14:11:18 as
	Evaluation of Density Functionals and Basis Sets for Carbohydrates [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 679-692. by Gábor I. Csonka, Alfred D. French, Glenn P. Johnson, Carlos A. Stortz posted to benchmarking dft by Fortran on 2009-05-05 12:28:37 as along with 2 people and 1 group A_Coletta_Thesis carlosjavierna Structural Biology Group TorVergata
	Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 902-908. by John P. Perdew, Adrienn Ruzsinszky, Lucian A. Constantin, Jianwei Sun, Gábor I. Csonka posted to dft by Fortran on 2009-05-05 12:21:54 as along with 2 people and 1 group softsimu A_Coletta_Thesis Structural Biology Group TorVergata
	Adaptive Finite Element Method for Solving the Exact Kohn−Sham Equation of Density Functional Theory [My Copy] Journal of Chemical Theory and Computation, Vol. 0, No. 0. (0000) by Eric J. Bylaska, Michael Holst, John H. Weare posted to dft finite-element by Fortran on 2009-05-05 12:21:32 as along with 1 person and 1 group sobolevnrm baker-group
	“Mindless” DFT Benchmarking [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 993-1003. by Martin Korth, Stefan Grimme posted to benchmarking dft by Fortran on 2009-05-05 12:20:01 as along with 1 person softsimu
	Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 1004-1015. by Ivan S. Ufimtsev, Todd J. Martinez posted to dft gpgpu by Fortran on 2009-05-05 12:10:24 as along with 2 people charris5 RamuAnandakrishnan
	Robust and Reliable Multilevel Minimization of the Kohn−Sham Energy [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 1027-1032. by Branislav Jansík, Stinne Høst, Mikael P. Johansson, Jeppe Olsen, Poul Jørgensen, Trygve Helgaker posted to dft minimization by Fortran on 2009-05-05 12:09:19 as
	Performance of the M06-2X Density Functional for π-Stacking: Basis Set Superposition Energy Corrections [My Copy] Chemical Physics Letters (25 March 2009) by Jiande Gu, Jing Wang, Jerzy Leszczynski, Yaoming Xie, Schaefer posted to dft truhlar unread by Fortran on 2009-03-30 19:25:09 as
	A time-dependent density-functional approach to nonadiabatic electron-nucleus dynamics: formulation and photochemical application [My Copy] Phys. Chem. Chem. Phys. (2009) by Hirotoshi Hirai, Osamu Sugino posted to dft tddft unread by Fortran on 2009-03-30 19:09:35 as
	Laser-Controlled Dissociation of C2H22+: Ehrenfest Dynamics Using Time-Dependent Density Functional Theory [My Copy] The Journal of Physical Chemistry A, Vol. 0, No. 0. (0000) by Wenkel Liang, Christine M. Isborn, Xiaosong Li posted to dft unread by Fortran on 2009-03-30 15:00:28 as
	Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 11. (11 November 2008), pp. 1849-1868. by Yan Zhao, Donald G. Truhlar posted to dft truhlar unread by Fortran on 2009-03-24 17:34:33 as along with 1 person Gershom
	Analysis of the stability of finite subspaces in density functional theory [My Copy] Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) by Ramiro Pino, Olivier Bokanowski, Eduardo Ludeña, Roberto Boada posted to dft unread by Fortran on 2009-03-24 15:22:39 as
	An efficient algorithm for the density-functional theory treatment of dispersion interactions [My Copy] The Journal of Chemical Physics, Vol. 130, No. 12. (2009), 124105. by Jürgen Gräfenstein, Dieter Cremer posted to dft dispersion unread by Fortran on 2009-03-24 13:24:13 as
	Adiabatic Connection and the Kohn−Sham Variety of Potential−Functional Theory [My Copy] Journal of Chemical Theory and Computation, Vol. 0, No. 0. (0000) by E. K. U. Gross, C. R. Proetto posted to dft unread by Fortran on 2009-03-24 13:22:50 as along with 1 person Gershom
	Optimization of analytic density functionals by parallel genetic algorithm [My Copy] Chemical Physics Letters, Vol. 463, No. 1-3. (22 September 2008), pp. 278-282. by Matthew A. Thompson, Brett I. Dunlap posted to byme dft by Fortran on 2009-03-24 13:18:15 as
	Van der Waals Interactions in Density-Functional Theory: Rare-Gas Diatomics [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 719-727. by Felix O. Kannemann, Axel D. Becke posted to dft unread by Fortran on 2009-03-24 13:13:16 as along with 2 people middledomain Gershom

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