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Showing results 1-32 of 32

1 Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Myhre, Rolf Heilemann; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Giovannini, Tommaso; Goletto, Linda; Haugland, Tor Strømsem; Hutcheson, Anders; Høyvik, Ida-Marie; Moitra, Torsha; Paul, Alexander Christian; Scavino, Marco; Skeidsvoll, Andreas Sæther; Tveten, Åsmund; Koch, Henrik.
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics 2020 ;Volume 152.(18) p. 184103-184103-13
NTNU Untitled
2 Høyvik, Ida-Marie.
The spectrum of the atomic orbital overlap matrix and the locality of the virtual electronic density matrix. Molecular Physics 2020 ;Volume 118.(21-22) p. -
NTNU Untitled
3 Koch, Henrik; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Folkestad, Sarai Dery; Giovannini, Tommaso; Goletto, Linda; Haugland, Tor Strømsem; Hutcheson, Anders; Høyvik, Ida-Marie; Kjønstad, Eirik Fadum; Moitra, Torsha; Myhre, Rolf Heilemann; Paul, Alexander Christian; Roet, Sander; Scavino, Marco; Skeidsvoll, Andreas Sæther; Tveten, Åsmund.
eT - an electronic structure program. 2020
NTNU Untitled
4 Høyvik, Ida-Marie.
Convergence acceleration for the multilevel Hartree-Fock model. Molecular Physics 2019 p. 1-12
NTNU Untitled
5 Folkestad, Sarai Dery; Høyvik, Ida-Marie; Koch, Henrik.
Multilevel coupled cluster theory for valence and core excited states. 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry; 2017-08-27 - 2017-09-01
NTNU Untitled
6 Høyvik, Ida-Marie; Heilemann Myhre, Rolf; Koch, Henrik.
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models. Journal of Chemical Physics 2017 ;Volume 146.(14)
NTNU UiO Untitled
7 Sæther, Sandra; Kjærgaard, Thomas; Koch, Henrik; Høyvik, Ida-Marie.
Density-Based Multilevel Hartree-Fock Model. Journal of Chemical Theory and Computation 2017 ;Volume 13.(11) p. 5282-5290
NTNU Untitled
8 Vinje, Jakob; Falck, Merete; Mazzola, Federico; Cooil, Simon Phillip; Koch, Henrik; Høyvik, Ida-Marie; Wells, Justin.
Tautomerization of thymine using ultraviolet light. Langmuir 2017 ;Volume 33.(38) p. 9666-9672
NTNU Untitled
9 Dundas, Karen Oda Hjorth.
Density-Based Formulation of Multi-Level Hartree-Fock Theory. : NTNU, IKJ 2016 51 p.
NTNU Untitled
10 Falck, Merete.
A Study of Thymine to Support Experimentalists. : NTNU-IKJ 2016 102 p.
NTNU Untitled
11 Folkestad, Sarai Dery.
Coupled Cluster for High-Spin Open-Shell Systems. : NTNU-IKJ 2016 67 p.
NTNU Untitled
12 Høyvik, Ida-Marie.
Local Hartree--Fock orbitals and electronic properties of the molecule. International Society for Theoretical Chemical Physics; 2016-07-17 - 2016-07-22
NTNU Untitled
13 Høyvik, Ida-Marie.
Molecular orbital density matrix based Hartree-Fock energy optimization. Magical mystery tour of electron correlation, in Honour of Jeppe Olsen; 2016-10-24 - 2016-10-26
NTNU Untitled
14 Høyvik, Ida-Marie; Jørgensen, Poul.
Characterization and generation of local occupied and virtual Hartree-Fock orbitals. Chemical Reviews 2016 ;Volume 116.(5) p. 3306-3327
NTNU Untitled
15 Høyvik, Ida-Marie; Jørgensen, Poul; Olsen, Jeppe.
Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals. Molecular Physics 2016 p. -
NTNU Untitled
16 Kjønstad, Eirik F..
Symmetric Coupled Cluster Theory. : NTNU-IKJ 2016 83 p.
NTNU Untitled
17 Stakvik, Linda.
Using Localized Molecular Orbitals in the Multi-level Coupled Cluster Approach. : NTNU, IKJ 2016 65 p.
NTNU Untitled
18 Høyvik, Ida-Marie.
Orbital transformations for localizing non-orthogonal molecular orbitals. Det 20. landsmøte i kjemi (seksjonen for kvantekjemi og modellering); 2014-10-29 - 2014-10-30
NTNU Untitled
19 Høyvik, Ida-Marie; Kristensen, Kasper; Kjærgaard, Thomas; Jørgensen, Poul.
A perspective on the localizability of Hartree-Fock orbitals. Theoretical Chemistry Accounts 2014 ;Volume 133. p. -
20 Høyvik, Ida-Marie.
Local Hartree-Fock orbitals; characterization, structure and optimization. : Department of Chemistry, Aarhus University 2013 230 p.
21 Høyvik, Ida-Marie.
Local occupied and virtual Hartree-Fock orbitals. 7th Molecular Quantum Mechanics Congress; 2013-06-02 - 2013-06-07
22 Høyvik, Ida-Marie.
On the localizability of orthonormal occupied and virtual Hartree-Fock orbitals. The VIIIth Congress of the International Society of Theoretical Chemical Physics; 2013-08-25 - 2013-08-31
23 Høyvik, Ida-Marie; Jansik, Branislav; Jørgensen, Poul.
Pipek-Mezey localization of occupied and virtual orbitals. Journal of Computational Chemistry 2013 ;Volume 34. p. 1456-1462
24 Høyvik, Ida-Marie; Jansik, Branislav; Kristensen, Kasper; Jørgensen, Poul.
Local Hartree-Fock orbitals using a three-level optimization strategy for the energy. Journal of Computational Chemistry 2013 ;Volume 34. p. 1311-1320
25 Høyvik, Ida-Marie; Jørgensen, Poul.
Localized orbitals from basis sets augmented with diffuse functions. Journal of Chemical Physics 2013 ;Volume 138. p. -
26 Kristensen, Kasper; Kjærgaard, Thomas; Høyvik, Ida-Marie; Ettenhuber, Patrick; Jørgensen, Poul; Jansik, Branislav; Reine, Simen Sommerfelt; Jakowski, Jacek.
The divide-expand-consolidate MP2 scheme goes massively parallel. Molecular Physics 2013 ;Volume 111.(9-11) p. 1196-1210
UiO Untitled
27 Høyvik, Ida-Marie; Jansik, Branislav; Jørgensen, Poul.
Orbital localization using fourth central moment minimization. Journal of Chemical Physics 2012 ;Volume 137. p. 224114-
28 Høyvik, Ida-Marie; Jørgensen, Poul; Jansik, Branislav.
Trust-region minimization of orbital localization functions. Journal of Chemical Theory and Computation 2012 ;Volume 8. p. 3137-3146
29 Høyvik, Ida-Marie; Kristensen, Kasper; Jansik, Branislav; Jørgensen, Poul.
The divide-expand-consolidate family of coupled cluster methods: numerical illustrations using second order Møller-Plesset perturbation theory. Journal of Chemical Physics 2012 ;Volume 136. p. -
30 Kristensen, Kasper; Høyvik, Ida-Marie; Jansik, Branislav; Jørgensen, Poul; Kjærgaard, Thomas; Reine, Simen Sommerfelt; Jakowski, Jacek.
MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme. Physical Chemistry, Chemical Physics - PCCP 2012 ;Volume 14.(45) p. 15706-15714
UiO Untitled
31 Høyvik, Ida-Marie.
Part A: Structures and conformational energies of selected fluoropropenes. Part B: Alternative forms of exchange correlation functionsals derived from pair-creation transformations. Trondheim: NTNU, Institutt for kjemi 2010 115 p.
NTNU Untitled
32 Sparta, Manuel; Høyvik, Ida-Marie; Toffoli, Daniele; Christiansen, Ove.
Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations. Journal of Physical Chemistry A 2009 ;Volume 113.(30) p. 8712-8723
NTNU Untitled