Embedding for bulk systems using localized atomic orbitals.

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Embedding for bulk systems using localized atomic orbitals.

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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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2017年学术文章

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Embedding for bulk systems using localized atomic orbitals.

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Embedding for bulk systems using localized atomic orbitals.

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Embedding for bulk systems using localized atomic orbitals.

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Embedding for bulk systems using localized atomic orbitals.

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Embedding for bulk systems using localized atomic orbitals.

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Embedding for bulk systems using localized atomic orbitals.

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P1476

Embedding for bulk systems using localized atomic orbitals

@en

P2093

J Burgdörfer

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

P2860

From ultrasoft pseudopotentials to the projector augmented-wave method

Generalized Gradient Approximation Made Simple

Self-Consistent Equations Including Exchange and Correlation Effects

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Projector augmented-wave method

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

A new mixing of Hartree–Fock and local density‐functional theories

Rationale for mixing exact exchange with density functional approximations

Describing static correlation in bond dissociation by Kohn-Sham density functional theory.

Hybrid functionals including random phase approximation correlation and second-order screened exchange.

P304

034110

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

P31

scholarly article

P356

10.1063/1.4993795

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

P407

English

P433

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

P478

147

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P50

Florian Libisch

Georg Kresse

M Marsman

P577

2017-07-01T00:00:00Z

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P698

28734276

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P818

1703.10077

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