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Journal of Chemical Theory and Computation, ISSN 1549-9618, 12/2008, Volume 4, Issue 12, pp. 2020 - 2029
As for generating localized Hartree−Fock orbitals, we propose a potentially linear-scaling singles-CI scheme to construct fragment-localized density functional... 
Quantum Electronic Structure | WATER DIMER | ACCURATE | MOLECULAR-ORBITALS | AB-INITIO | POTENTIALS | DENSITY-FUNCTIONAL THEORY | CHARGE-TRANSFER | FORCE-FIELDS | BASIS-SET | BOND | CHEMISTRY, MULTIDISCIPLINARY | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 10/2008, Volume 4, Issue 10, pp. 1620 - 1626
A multicore parallelization of Kohn−Sham density functional theory is described, using an accelerator technology made by ClearSpeed Technology. Efficiently... 
Quantum Electronic Structure | INITIO QUANTUM-CHEMISTRY | MATRIX | LINEAR SCALING COMPUTATION | APPROXIMATIONS | DENSITY-FUNCTIONAL CALCULATIONS | EQUATIONS | COULOMB PROBLEM | SIMULATIONS | EXCHANGE | HARTREE-FOCK | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 07/2010, Volume 31, Issue 10, pp. 2008 - 2013
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 07/2009, Volume 5, Issue 7, pp. 1776 - 1784
A multicore parallelization of Kohn−Sham theory is described, using standard commodity multisocket and multisocket/multicore shared-memory processors.... 
Quantum Electronic Structure | 2-ELECTRON INTEGRAL EVALUATION | GRAPHICAL PROCESSING UNITS | QUANTUM MONTE-CARLO | MECHANICS | CODE | APPROXIMATIONS | PERFORMANCE | DENSITY-FUNCTIONAL CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | ELECTRONIC-STRUCTURE
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 2001, Volume 337, Issue 4, pp. 341 - 348
Multiplicative Kohn-Sham potentials are determined from theoretical electron densities, and the associated orbitals and eigenvalues are used to calculate NMR... 
CORRELATION FUNCTIONALS | EXCHANGE-CORRELATION POTENTIALS | CHEMICAL-SHIFTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | INCLUDING ATOMIC ORBITALS | HARTREE-FOCK | COUPLED-CLUSTER CALCULATIONS
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 2002, Volume 352, Issue 5, pp. 540 - 544
Stationary points on the oxirene-ketene potential energy surface (PES) are determined using Kohn-Sham density functional theory (DFT) with the B3LYP, B97-1,... 
CHEMISTRY, PHYSICAL | DENSITY-FUNCTIONAL THEORY | ANALYTIC 2ND DERIVATIVES | THERMOCHEMISTRY | EXCHANGE-CORRELATION FUNCTIONALS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
PLoS Genetics, ISSN 1553-7390, 08/2015, Volume 11, Issue 8, p. e1005352
Journal Article
Nature Biotechnology, ISSN 1087-0156, 08/2010, Volume 28, Issue 8, pp. 839 - 847
Journal Article
1972, xiv, 457 p. illus.
Book
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 1/2009, Volume 106, Issue 2, pp. 617 - 622
Journal Article
Molecular Psychiatry, ISSN 1359-4184, 06/2013, Volume 18, Issue 6, pp. 713 - 720
  A Val(66)Met single-nucleotide polymorphism (SNP) in the brain-derived neurotrophic factor (BDNF) gene impairs activity-dependent BDNF release in cultured... 
Val | hippocampus | BDNF | working memory | schizophrenia | Met | PET | Schizophrenia | Val66Met
Journal Article