basis set

نتایج جستجو برای: basis set

تعداد نتایج: 1000945 فیلتر نتایج به سال:

Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C

Journal: :The Journal of Chemical Physics 2017

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Basis set construction for molecular electronic structure theory: Natural orbital and Gauss–Slater basis for smooth pseudopotentials

Journal: :The Journal of Chemical Physics 2011

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Test for basis-set errors in relativistic Dirac-Fock-Slater calculations with a numerical AO-DFS-basis

Journal: :Physica Scripta 1987

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Approaching the Hartree–Fock Limit through the Complementary Auxiliary Basis Set Singles Correction and Auxiliary Basis Sets

Journal: :Journal of Chemical Theory and Computation 2017

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Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme

Journal: :The Journal of Physical Chemistry A 2016

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Daubechies wavelets as a basis set for density functional pseudopotential calculations

Journal: :The Journal of Chemical Physics 2008

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On the Kohn–Sham density response in a localized basis set

Journal: :The Journal of Chemical Physics 2009

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Dipole field representation in the basis set of Hermite-Gaussian functions

Journal: :Lithuanian Journal of Physics 2007

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East Model: Basis Set Expansion, Mode Coupling, and Irreducible Memory Kernels

Journal: :The Journal of Physical Chemistry B 2004

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Influence of basis set on the calculated properties of (H3N–HCl)

Journal: :The Journal of Chemical Physics 1985

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