Trygve Helgaker
Universitetet i Oslo
H-index: 93
Europe-Norway
Top articles of Trygve Helgaker
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
A variational reformulation of molecular properties in electronic-structure theory | Science Advances | Poul Jørgensen Jeppe Olsen Magnus Bukhave Johansen Theo Juncker von Buchwald Andreas Erbs Hillers-Bendtsen | 2024/4/24 |
Propagators for molecular dynamics in a magnetic field | Molecular Physics | Laurens DM Peters Erik I Tellgren Trygve Helgaker | 2024/3/3 |
Exchange-only virial relation from the adiabatic connection | The Journal of Chemical Physics | Andre Laestadius Mihály A Csirik Markus Penz Nicolas Tancogne-Dejean Michael Ruggenthaler | 2024/2/28 |
Time-dependent nuclear-electronic orbital Hartree–Fock theory in a strong uniform magnetic field | The Journal of Chemical Physics | Tanner Culpitt Laurens DM Peters Erik I Tellgren Trygve Helgaker | 2023/3/21 |
Berry Population Analysis: Atomic Charges from the Berry Curvature in a Magnetic Field | Journal of Chemical Theory and Computation | Laurens DM Peters Tanner Culpitt Erik I Tellgren Trygve Helgaker | 2023/1/27 |
Carbon dioxide adsorption to UiO-66: theoretical analysis of binding energy and NMR properties | Physical Chemistry Chemical Physics | Michiko Atsumi Jia-Jia Zheng Erik Tellgren Shigeyoshi Sakaki Trygve Helgaker | 2023 |
Molecular vibrations in the presence of velocity-dependent forces | The Journal of Chemical Physics | Erik I Tellgren Tanner Culpitt Laurens DM Peters Trygve Helgaker | 2023/3/28 |
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science | Andrew M Teale Trygve Helgaker Andreas Savin Carlo Adamo Bálint Aradi | 2022 | |
Oxyl Character and Methane Hydroxylation Mechanism in Heterometallic M(O)Co3O4 Cubanes (M = Cr, Mn, Fe, Mo, Tc, Ru, and Rh) | ACS Catalysis | Bastian Bjerkem Skjelstad Trygve Helgaker Satoshi Maeda David Balcells | 2022/9/27 |
Molecular dynamics of linear molecules in strong magnetic fields | The Journal of Chemical Physics | Laurenz Monzel Ansgar Pausch Laurens DM Peters Erik I Tellgren Trygve Helgaker | 2022/8/7 |
Revealing the exotic structure of molecules in strong magnetic fields | The Journal of Chemical Physics | Miles J Pemberton Tom JP Irons Trygve Helgaker Andrew M Teale | 2022/5/28 |
Lieb variation principle in density-functional theory | arXiv preprint arXiv:2204.12216 | Trygve Helgaker Andrew M Teale | 2022/4/26 |
Lutosław Wolniewicz (1930–2020) | Molecular Physics | Stanisław Dembiński Jacek Karwowski Józef Szudy Trygve Helgaker | 2022/10/18 |
Analytic calculation of the Berry curvature and diagonal Born–Oppenheimer correction for molecular systems in uniform magnetic fields | The Journal of Chemical Physics | Tanner Culpitt Laurens DM Peters Erik I Tellgren Trygve Helgaker | 2022/1/28 |
Magnetic-translational sum rule and approximate models of the molecular Berry curvature | The Journal of Chemical Physics | Laurens DM Peters Tanner Culpitt Erik I Tellgren Trygve Helgaker | 2022/10/7 |
Ab initio molecular dynamics with screened Lorentz forces. II. Efficient propagators and rovibrational spectra in strong magnetic fields | The Journal of Chemical Physics | Laurens DM Peters Tanner Culpitt Laurenz Monzel Erik I Tellgren Trygve Helgaker | 2021/7/14 |
Lower semicontinuity of the universal functional in paramagnetic current–density functional theory | The Journal of Physical Chemistry Letters | Simen Kvaal Andre Laestadius Erik Tellgren Trygve Helgaker | 2021/2/1 |
First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics | Inorganic Chemistry | Abril C Castro David Balcells Michal Repisky Trygve Helgaker Michele Cascella | 2020/11/23 |
New approaches to study excited states in density functional theory: general discussion | Faraday Discussions | Jan Gerit Brandenburg Kieron Burke Emmanuel Fromager Matteo Gatti Sara Giarrusso | 2020 |
Foreword: Prof. Gauss Festschrift | Molecular Physics | Janus J Eriksen Stella Stopkowicz Thomas-C Jagau Trygve Helgaker | 2020/10/17 |
Co-Authors
