Towards an exact description of electronic wavefunctions in real solids (Q34318638)

1 August 2017

title

Towards an exact description of electronic wavefunctions in real solids (English)

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1 August 2017

Andreas Grüneis

2

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Georg Kresse

object named as

Georg Kresse

series ordinal

3

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author name string

George H Booth

series ordinal

1

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1 August 2017

Ali Alavi

series ordinal

4

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1 August 2017

language of work or name

English

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publication date

19 December 2012

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1 August 2017

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1 August 2017

volume

493

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1 August 2017

issue

7432

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1 August 2017

page(s)

365-370

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Challenges for density functional theory.

1 August 2017

cites work

1 reference

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A Simple, Exact Density-Functional-Theory Embedding Scheme

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Multideterminant Wave Functions in Quantum Monte Carlo.

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Note on an Approximation Treatment for Many-Electron Systems

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On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

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A fifth-order perturbation comparison of electron correlation theories

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Generalized Gradient Approximation Made Simple

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Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms

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Beyond a Hartree–Fock description of crystalline solids: the case of lithium hydride

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Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH

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Wavefunction-based electron correlation methods for solids

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Finite-size correction in many-body electronic structure calculations

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Computational Complexity and Fundamental Limitations to Fermionic Quantum Monte Carlo Simulations

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Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

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Breaking the carbon dimer: the challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods

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Inhomogeneous backflow transformations in quantum Monte Carlo calculations

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Improved hybrid functional for solids: The HSEsol functional

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Bond breaking with auxiliary-field quantum Monte Carlo

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Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: a study of ionization potentials

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Approaching the bulk limit with finite cluster calculations using local increments: the case of LiH

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The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method

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Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set

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7 January 2021

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Bulk and surface energetics of crystalline lithium hydride: Benchmarks from quantum Monte Carlo and quantum chemistry

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Assessing the performance of recent density functionals for bulk solids

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Identifiers

DOI

10.1038/NATURE11770

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Dimensions Publication ID

1 August 2017

1002549066

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