Optimization of numerical orbitals using the Helmholtz kernel.

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Optimization of numerical orbitals using the Helmholtz kernel.

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2017 nî lūn-bûn

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2017年学术文章

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2017年学术文章

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Optimization of numerical orbitals using the Helmholtz kernel.

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Optimization of numerical orbitals using the Helmholtz kernel.

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Optimization of numerical orbitals using the Helmholtz kernel.

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Optimization of numerical orbitals using the Helmholtz kernel.

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Optimization of numerical orbitals using the Helmholtz kernel.

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Optimization of numerical orbitals using the Helmholtz kernel.

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P1476

Optimization of numerical orbitals using the Helmholtz kernel

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P2093

Sergio A Losilla

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

P2860

Multiresolution quantum chemistry: basic theory and initial applications.

Basis set limit Hartree-Fock and density functional theory response property evaluation by multiresolution multiwavelet basis.

Parallel implementation of a direct method for calculating electrostatic potentials.

Low-order tensor approximations for electronic wave functions: Hartree-Fock method with guaranteed precision.

Daubechies wavelets as a basis set for density functional pseudopotential calculations.

A Generalized Grid-Based Fast Multipole Method for Integrating Helmholtz Kernels.

Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved.

The grid-based fast multipole method--a massively parallel numerical scheme for calculating two-electron interaction energies.

Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree-Fock and density functional theory via linear response.

An economic prediction of refinement coefficients in wavelet-based adaptive methods for electron structure calculations.

P304

084102

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P31

scholarly article

P356

10.1063/1.4976557

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P407

English

P433

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

P478

146

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P50

P577

2017-02-01T00:00:00Z

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P698

28249419

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