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Viser treff 1-27 av 27

2017
1 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 ;Volum 146.(14)
NTNU UiO Untitled
 
2 Sandra, Sæther; Kjærgaard, Thomas; Koch, Henrik; Høyvik, Ida-Marie.
A density based multilevel Hartree-Fock model. Journal of Chemical Theory and Computation 2017
NTNU Untitled
 
3 Vinje, Jakob; Falck, Merete; Mazzola, Federico; Cooil, Simon Phillip; Koch, Henrik; Høyvik, Ida-Marie; Wells, Justin.
Tautomerization of thymine using ultraviolet light. Langmuir 2017 ;Volum 33.(38) s. 9666-9672
NTNU Untitled
 
2016
4 Dundas, Karen Oda Hjorth.
Density-Based Formulation of Multi-Level Hartree-Fock Theory. : NTNU, IKJ 2016 51 s.
NTNU Untitled
 
5 Falck, Merete.
A Study of Thymine to Support Experimentalists. : NTNU-IKJ 2016 102 s.
NTNU Untitled
 
6 Folkestad, Sarai Dery.
Coupled Cluster for High-Spin Open-Shell Systems. : NTNU-IKJ 2016 67 s.
NTNU Untitled
 
7 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
 
8 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
 
9 Høyvik, Ida-Marie; Jørgensen, Poul.
Characterization and generation of local occupied and virtual Hartree-Fock orbitals. Chemical Reviews 2016 ;Volum 116.(5) s. 3306-3327
NTNU Untitled
 
10 Høyvik, Ida-Marie; Jørgensen, Poul; Olsen, Jeppe.
Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals. Molecular Physics 2016 s. -
NTNU Untitled
 
11 Kjønstad, Eirik F..
Symmetric Coupled Cluster Theory. : NTNU-IKJ 2016 83 s.
NTNU Untitled
 
12 Stakvik, Linda.
Using Localized Molecular Orbitals in the Multi-level Coupled Cluster Approach. : NTNU, IKJ 2016 65 s.
NTNU Untitled
 
2014
13 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
 
14 Høyvik, Ida-Marie; Kristensen, Kasper; Kjærgaard, Thomas; Jørgensen, Poul.
A perspective on the localizability of Hartree-Fock orbitals. Theoretical Chemistry accounts 2014 ;Volum 133. s. -
Untitled
 
2013
15 Høyvik, Ida-Marie.
Local Hartree-Fock orbitals; characterization, structure and optimization. : Department of Chemistry, Aarhus University 2013 230 s.
Untitled
 
16 Høyvik, Ida-Marie.
Local occupied and virtual Hartree-Fock orbitals. 7th Molecular Quantum Mechanics Congress; 2013-06-02 - 2013-06-07
Untitled
 
17 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
Untitled
 
18 Høyvik, Ida-Marie; Jansik, Branislav; Jørgensen, Poul.
Pipek-Mezey localization of occupied and virtual orbitals. Journal of Computational Chemistry 2013 ;Volum 34. s. 1456-1462
Untitled
 
19 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 ;Volum 34. s. 1311-1320
Untitled
 
20 Høyvik, Ida-Marie; Jørgensen, Poul.
Localized orbitals from basis sets augmented with diffuse functions. Journal of Chemical Physics 2013 ;Volum 138. s. -
Untitled
 
21 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 ;Volum 111.(9-11) s. 1196-1210
UiO Untitled
 
2012
22 Høyvik, Ida-Marie; Jansik, Branislav; Jørgensen, Poul.
Orbital localization using fourth central moment minimization. Journal of Chemical Physics 2012 ;Volum 137. s. 224114-
Untitled
 
23 Høyvik, Ida-Marie; Jørgensen, Poul; Jansik, Branislav.
Trust-region minimization of orbital localization functions. Journal of Chemical Theory and Computation 2012 ;Volum 8. s. 3137-3146
Untitled
 
24 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 ;Volum 136. s. -
Untitled
 
25 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 ;Volum 14.(45) s. 15706-15714
UiO Untitled
 
2010
26 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 s.
NTNU Untitled
 
2009
27 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 ;Volum 113.(30) s. 8712-8723
NTNU Untitled