Lista de obras - Andreas Grüneis - Dominio Público Uruguay

A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface.

artículo científico publicado en 2017

A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal.

artículo científico publicado en 2015

Accurate surface and adsorption energies from many-body perturbation theory.

artículo científico publicado en 2010

Assessment of correlation energies based on the random-phase approximation

Band alignment of semiconductors from density-functional theory and many-body perturbation theory

scholarly article in Physical Review B, vol. 90 no. 15, October 2014

Communication: Finite size correction in periodic coupled cluster theory calculations of solids

artículo científico publicado en 2016

Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems

scholarly article in Physical Review B, vol. 86 no. 3, July 2012

Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO

artículo científico publicado en 2015

Erratum: “Hybrid functionals including random phase approximation correlation and second-order screened exchange” [J. Chem. Phys. 132, 094103 (2010)]

correction of a scholarly article

Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions.

artículo científico publicado en 2013

From plane waves to local Gaussians for the simulation of correlated periodic systems ⬇️

artículo científico publicado en 2016

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

artículo científico publicado en 2010

Ionization potentials of solids: the importance of vertex corrections

artículo científico publicado en 2014

Local embedding of coupled cluster theory into the random phase approximation using plane waves

artículo científico publicado en 2021

Low rank factorization of the Coulomb integrals for periodic coupled cluster theory. ⬇️

artículo científico publicado en 2017

Making the random phase approximation to electronic correlation accurate

scientific article published on 01 October 2009

Many-body quantum chemistry for the electron gas: convergent perturbative theories

artículo científico publicado en 2013

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

scientific article published on 09 August 2011

Nonlinear behavior of the band gap ofPb1−xEuxSe(0≤x≤1)from first principles

scholarly article in Physical Review B, vol. 78 no. 16, October 2008

Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory

scientific article published on 01 September 2019

Perspective: Explicitly correlated electronic structure theory for complex systems

artículo científico publicado en 2017

Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy

artículo científico publicado en 2017

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

artículo científico publicado en 2009

Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties

artículo científico publicado en 2010

Structural and electronic properties of lead chalcogenides from first principles

article by Kerstin Hummer et al published 21 May 2007 in Physical Review B

Towards an exact description of electronic wavefunctions in real solids

artículo científico publicado en 2012

Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.

artículo científico publicado en 2012

Lista de obras de Andreas Grüneis

A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface.

A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal.

Accurate surface and adsorption energies from many-body perturbation theory.

Assessment of correlation energies based on the random-phase approximation

Band alignment of semiconductors from density-functional theory and many-body perturbation theory

Communication: Finite size correction in periodic coupled cluster theory calculations of solids

Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems

Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO

Erratum: “Hybrid functionals including random phase approximation correlation and second-order screened exchange” [J. Chem. Phys. 132, 094103 (2010)]

Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions.

From plane waves to local Gaussians for the simulation of correlated periodic systems ⬇️

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

Ionization potentials of solids: the importance of vertex corrections

Local embedding of coupled cluster theory into the random phase approximation using plane waves

Low rank factorization of the Coulomb integrals for periodic coupled cluster theory. ⬇️

Making the random phase approximation to electronic correlation accurate

Many-body quantum chemistry for the electron gas: convergent perturbative theories

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

Nonlinear behavior of the band gap ofPb1−xEuxSe(0≤x≤1)from first principles

Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory

Perspective: Explicitly correlated electronic structure theory for complex systems

Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy

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

Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties

Structural and electronic properties of lead chalcogenides from first principles

Towards an exact description of electronic wavefunctions in real solids

Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.