Lista de obras -

A direct method to transform between expansions in the configuration state function and Slater determinant bases.

artículo científico publicado en 2014

A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation. ⬇️

artículo científico publicado en 2016

An efficient algorithm for solving nonlinear equations with a minimal number of trial vectors: applications to atomic-orbital based coupled-cluster theory

artículo científico publicado en 2008

Capabilities and Limits of the Unitary Coupled-cluster Approach with Generalized Two-body Cluster Operators

artículo científico publicado en 2022

Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies

artículo científico publicado en 2019

Cluster perturbation theory. II. Excitation energies for a coupled cluster target state

scientific article published on 01 April 2019

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

artículo científico publicado en 2019

Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties

scientific article published on 01 April 2019

Cluster perturbation theory. V. Theoretical foundation for cluster linear target states

scientific article published on 01 April 2019

Convergence of coupled cluster perturbation theory. ⬇️

artículo científico publicado en 2016

Convergence patterns and rates in two-state perturbation expansions

scientific article published on 01 August 2019

Correction to Multiconfiguration Pair-Density Functional Theory

artículo científico publicado en 2015

Coupled-cluster theory in a projected atomic orbital basis.

artículo científico publicado en 2006

Dynamic correlation for non-orthogonal reference states: Improved perturbational and variational methods

scientific article published on 01 October 2018

General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory

artículo científico publicado en 2007

Linear-scaling implementation of molecular electronic self-consistent field theory

artículo científico publicado en 2007

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory

artículo científico publicado en 2007

Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian.

artículo científico publicado en 2015

Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective.

artículo científico publicado en 2016

Multiconfiguration Pair-Density Functional Theory

artículo científico publicado en 2014

Non-orthogonal internally contracted multi-configurational perturbation theory (NICPT): Dynamic electron correlation for large, compact active spaces.

artículo científico publicado en 2017

Novel methods for configuration interaction and orbital optimization for wave functions containing non-orthogonal orbitals with applications to the chromium dimer and trimer

artículo científico publicado en 2015

Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations.

artículo científico publicado en 2017

The Dalton quantum chemistry program system

artículo científico publicado en 2014

The trust-region self-consistent field method in Kohn-Sham density-functional theory

artículo científico publicado en 2005

The trust-region self-consistent field method: Towards a black-box optimization in Hartree–Fock and Kohn–Sham theories

scientific article published on 01 July 2004

Lista de obras de

A direct method to transform between expansions in the configuration state function and Slater determinant bases.

A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation. ⬇️

An efficient algorithm for solving nonlinear equations with a minimal number of trial vectors: applications to atomic-orbital based coupled-cluster theory

Capabilities and Limits of the Unitary Coupled-cluster Approach with Generalized Two-body Cluster Operators

Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies

Cluster perturbation theory. II. Excitation energies for a coupled cluster target state

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties

Cluster perturbation theory. V. Theoretical foundation for cluster linear target states

Convergence of coupled cluster perturbation theory. ⬇️

Convergence patterns and rates in two-state perturbation expansions

Correction to Multiconfiguration Pair-Density Functional Theory

Coupled-cluster theory in a projected atomic orbital basis.

Dynamic correlation for non-orthogonal reference states: Improved perturbational and variational methods

General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory

Linear-scaling implementation of molecular electronic self-consistent field theory

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory

Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian.

Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective.

Multiconfiguration Pair-Density Functional Theory

Non-orthogonal internally contracted multi-configurational perturbation theory (NICPT): Dynamic electron correlation for large, compact active spaces.

Novel methods for configuration interaction and orbital optimization for wave functions containing non-orthogonal orbitals with applications to the chromium dimer and trimer

Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations.

The Dalton quantum chemistry program system

The trust-region self-consistent field method in Kohn-Sham density-functional theory

The trust-region self-consistent field method: Towards a black-box optimization in Hartree–Fock and Kohn–Sham theories