Ida-Marie Høyvik

发表

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

Convergence acceleration for the multilevel Hartree–Fock model

Ida-Marie Høyvik, 2020, Molecular Physics.

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

O. Swang, T. L. Jensen, Erik Unneberg, 2022, The journal of physical chemistry. A.

Convergence of the electronic density for a target region in cluster models of a NH $$_3$$ 3 molecular crystal

Ida-Marie Høyvik, Anders Hutcheson, 2022, Journal of Mathematical Chemistry.

Density-Based Multilevel Hartree-Fock Model.

H. Koch, Ida-Marie Høyvik, T. Kjærgaard, 2017, Journal of chemical theory and computation.

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

H. Koch, Ida-Marie Høyvik, S. D. Folkestad, 2022, Journal of chemical theory and computation.

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

Henrik Koch, Ida-Marie Høyvik, Anders Hutcheson, 2021, J. Comput. Chem..

Linear-Scaling Implementation of Multilevel Hartree–Fock Theory

H. Koch, Ida-Marie Høyvik, Eirik F. Kjønstad, 2021, Journal of chemical theory and computation.

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

Ida-Marie Høyvik, 2020 .

Particle-Breaking Hartree–Fock Theory for Open Molecular Systems

Ida-Marie Høyvik, S. D. Folkestad, R. Matveeva, 2023, The journal of physical chemistry. A.

Localized orbitals from basis sets augmented with diffuse functions.

P. Jørgensen, Ida-Marie Høyvik, 2013, The Journal of chemical physics.

The divide–expand–consolidate MP2 scheme goes massively parallel

Kasper Kristensen, Thomas Kjærgaard, Simen Reine, 2013 .

Orbital localization using fourth central moment minimization.

P. Jørgensen, B. Jansik, Ida-Marie Høyvik, 2012, The Journal of chemical physics.

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

Tor S. Haugland, Alexander C. Paul, Andreas S. Skeidsvoll, 2020, The Journal of chemical physics.

Characterization and Generation of Local Occupied and Virtual Hartree-Fock Orbitals.

P. Jørgensen, Ida-Marie Høyvik, 2016, Chemical reviews.

Trust Region Minimization of Orbital Localization Functions.

Poul Jørgensen, Ida-Marie Høyvik, Branislav Jansik, 2012, Journal of chemical theory and computation.

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

Henrik Koch, Ida-Marie Høyvik, Regina Matveeva, 2021, J. Comput. Chem..

Tautomerization of Thymine Using Ultraviolet Light.

H. Koch, S. Cooil, F. Mazzola, 2017, Langmuir : the ACS journal of surfaces and colloids.

H. Koch, R. H. Myhre, Ida-Marie Høyvik, 2017, The Journal of chemical physics.

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

J. Olsen, P. Jørgensen, Ida-Marie Høyvik, 2017 .

Pipek–Mezey localization of occupied and virtual orbitals

Poul Jørgensen, Ida-Marie Høyvik, Branislav Jansik, 2013, J. Comput. Chem..

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

Kasper Kristensen, Poul Jørgensen, Ida-Marie Høyvik, 2013, J. Comput. Chem..

A perspective on the localizability of Hartree–Fock orbitals

P. Jørgensen, K. Kristensen, Ida-Marie Høyvik, 2013, Theoretical Chemistry Accounts.

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

Thomas Kjærgaard, Simen Reine, Poul Jørgensen, 2012, Physical chemistry chemical physics : PCCP.

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

Poul Jørgensen, Kasper Kristensen, Ida-Marie Høyvik, 2012, The Journal of chemical physics.

Potential energy surfaces for vibrational structure calculations from a multiresolution adaptive density-guided approach: implementation and test calculations.

O. Christiansen, M. Sparta, D. Toffoli, 2009, The journal of physical chemistry. A.

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

Ida-Marie Høyvik, S. D. Folkestad, Regina Paul Née Matveeva, 2024, The journal of physical chemistry. A.

Deriving the Redfield equation for electronically open molecules

Ida-Marie Høyvik, Bendik Støa Sannes, Jacob Pedersen, 2024, 2406.16443.