Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3.

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Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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Standard grids for high-precis ...... ty functionals: SG-2 and SG-3.

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Standard grids for high-precis ...... ty functionals: SG-2 and SG-3.

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Standard grids for high-precis ...... ty functionals: SG-2 and SG-3.

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Standard grids for high-precis ...... ty functionals: SG-2 and SG-3.

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Standard grids for high-precis ...... ty functionals: SG-2 and SG-3.

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Standard grids for high-precis ...... ty functionals: SG-2 and SG-3.

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P1476

Standard grids for high-precis ...... ity functionals: SG-2 and SG-3

@en

P2093

Saswata Dasgupta

http://www.w3.org/2001/XMLSchema#string

P2860

Systematic optimization of long-range corrected hybrid density functionals

Values of the nodes and weights of ninth to seventeenth order gauss-markov quadrature formulae invariant under the octahedron group with inversion

Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals

Revealing noncovalent interactions

How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation.

S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures.

Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies.

Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.

Mapping the genome of meta-generalized gradient approximation density functionals: the search for B97M-V.

P304

869-882

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P31

scholarly article

P356

10.1002/JCC.24761

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

John M Herbert

Saswata Dasgupta

P577

2017-02-24T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

28233907

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