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The effect of midbond functions on interaction energies computed using MP2 and CCSD(T)

Journal of computational chemistry, 2022-01, Vol.43 (2), p.121-131

2022

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Particle-Breaking Hartree–Fock Theory for Open Molecular Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-02, Vol.127 (5), p.1329-1341

2023

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Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models

Journal of computational chemistry, 2021-07, Vol.42 (20), p.1419-1429

2021

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eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods

The Journal of chemical physics, 2020-05, Vol.152 (18), p.184103-184103

2020

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Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models

The Journal of chemical physics, 2017-04, Vol.146 (14), p.144109-144109

2017

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Unimolecular Decomposition Reactions of Picric Acid and Its Methylated DerivativesA DFT Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-05, Vol.126 (17), p.2645-2657

2022

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Convergence acceleration for the multilevel Hartree-Fock model

Molecular physics, 2020-02, Vol.118 (4), p.1626929

Høyvik, Ida-Marie

2020

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The spectrum of the atomic orbital overlap matrix and the locality of the virtual electronic density matrix

Molecular physics, 2020-11, Vol.118 (21-22), p.e1765034

Høyvik, Ida-Marie

2020

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Characterization and Generation of Local Occupied and Virtual Hartree–Fock Orbitals

Chemical reviews, 2016-03, Vol.116 (5), p.3306-3327

2016

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Implementation of Occupied and Virtual Edmiston–Ruedenberg Orbitals Using Cholesky Decomposed Integrals

Journal of chemical theory and computation, 2022-08, Vol.18 (8), p.4733-4744

2022

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Orbital localization using fourth central moment minimization

The Journal of chemical physics, 2012-12, Vol.137 (22), p.224114-224114

2012

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The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Møller-Plesset perturbation theory

The Journal of chemical physics, 2012-01, Vol.136 (1), p.014105-014105-16

2012

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Trust Region Minimization of Orbital Localization Functions

Journal of chemical theory and computation, 2012-09, Vol.8 (9), p.3137-3146

2012

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Density-Based Multilevel Hartree–Fock Model

Journal of chemical theory and computation, 2017-11, Vol.13 (11), p.5282-5290

2017

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Convergence of the electronic density for a target region in cluster models of a NH3 molecular crystal

Journal of mathematical chemistry, 2023, Vol.61 (2), p.305-321

2023

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Particle-Breaking Unrestricted Hartree–Fock Theory for Open Molecular Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-02, Vol.128 (8), p.1533-1542

2024

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Linear-Scaling Implementation of Multilevel Hartree–Fock Theory

Journal of chemical theory and computation, 2021-12, Vol.17 (12), p.7416-7427

2021

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Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals

Molecular physics, 2017-01, Vol.115 (1-2), p.16-25

2017

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MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme

Physical chemistry chemical physics : PCCP, 2012-12, Vol.14 (45), p.1576-15714

2012

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Study programme driven engineering education: interplay between mathematics and engineering subjects

Teaching mathematics and its applications, 2022-12, Vol.41 (4), p.329-344

2022

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Pipek-Mezey localization of occupied and virtual orbitals

Journal of computational chemistry, 2013-06, Vol.34 (17), p.1456-1462

2013

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Tautomerization of Thymine Using Ultraviolet Light

Langmuir, 2017-09, Vol.33 (38), p.9666-9672

2017

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Local Hartree-Fock orbitals using a three-level optimization strategy for the energy

Journal of computational chemistry, 2013-06, Vol.34 (15), p.1311-1320

2013

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A perspective on the localizability of Hartree–Fock orbitals

Theoretical chemistry accounts, 2014, Vol.133 (1), Article 1417

2014

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Localized orbitals from basis sets augmented with diffuse functions

The Journal of chemical physics, 2013-05, Vol.138 (20), p.204104-204104

2013

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The effect of midbond functions on interaction energies computed using MP2 and CCSD(T)

Particle-Breaking Hartree–Fock Theory for Open Molecular Systems

Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models

eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods

Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models

Unimolecular Decomposition Reactions of Picric Acid and Its Methylated DerivativesA DFT Study

Convergence acceleration for the multilevel Hartree-Fock model

The spectrum of the atomic orbital overlap matrix and the locality of the virtual electronic density matrix

Characterization and Generation of Local Occupied and Virtual Hartree–Fock Orbitals

Implementation of Occupied and Virtual Edmiston–Ruedenberg Orbitals Using Cholesky Decomposed Integrals

Orbital localization using fourth central moment minimization

The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Møller-Plesset perturbation theory

Trust Region Minimization of Orbital Localization Functions

Density-Based Multilevel Hartree–Fock Model

Convergence of the electronic density for a target region in cluster models of a NH3 molecular crystal

Particle-Breaking Unrestricted Hartree–Fock Theory for Open Molecular Systems

Linear-Scaling Implementation of Multilevel Hartree–Fock Theory

Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals

MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme

Study programme driven engineering education: interplay between mathematics and engineering subjects

Pipek-Mezey localization of occupied and virtual orbitals

Tautomerization of Thymine Using Ultraviolet Light

Local Hartree-Fock orbitals using a three-level optimization strategy for the energy

A perspective on the localizability of Hartree–Fock orbitals

Localized orbitals from basis sets augmented with diffuse functions

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