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Olav Vahtras
Olav Vahtras
Professor of Theoretical Chemistry, KTH Royal Institute of Technology
Verified email at kth.se - Homepage
Title
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Cited by
Year
Multiconfigurational quadratic response functions for singlet and triplet perturbations: the phosphorescence lifetime of formaldehyde
O Vahtras, H Ågren, P Jo/rgensen, HJA Jensen, T Helgaker, J Olsen
The Journal of chemical physics 97 (12), 9178-9187, 1992
1581992
Magnetic phosphorescence of molecular oxygen. A study of the b1Σg+-X3Σg− transition probability using multiconfiguration response theory
B Minaev, O Vahtras, H Ågren
Chemical physics 208 (3), 299-311, 1996
741996
Hydrogen bonding to tyrosyl radical analyzed by ab initio g-tensor calculations
M Engström, F Himo, A Gräslund, B Minaev, O Vahtras, H Agren
The Journal of Physical Chemistry A 104 (21), 5149-5153, 2000
732000
Ab initio calculations of zero-field splitting parameters in linear polyacenes
O Loboda, B Minaev, O Vahtras, B Schimmelpfennig, H Ågren, K Ruud, ...
Chemical physics 286 (1), 127-137, 2003
622003
Some recent developments of high‐order response theory
Y Luo, D Jonsson, P Norman, K Ruud, O Vahtras, B Minaev, H Ågren, ...
International journal of quantum chemistry 70 (1), 219-239, 1998
421998
Theoretical study of specific solvent effects on the optical and magnetic properties of copper (II) acetylacetonate
KJ de Almeida, TC Ramalho, Z Rinkevicius, O Vahtras, H Ågren, A Cesar
The Journal of Physical Chemistry A 115 (8), 1331-1339, 2011
292011
Spin–spin coupling in 3b2 state of oxyallyl–A comparative study with trimethylenemethane
SSRR Perumal, B Minaev, O Vahtras, H Ågren
Computational and Theoretical Chemistry 963 (1), 51-54, 2011
52011
Restricted density functional response theory for open-shell systems
Z Rinkevicius, L Telyatnyk, O Vahtras
Advances in Quantum Chemistry 50, 271-288, 2005
12005
Ab-initio static exchange calculations of shake-up spectra of molecules and surface adsorbates
V Carravetta, L Yang, O Vahtras, H Àgren, LGM Pettersson
Le Journal de Physique IV 7 (C2), C2-519-C2-520, 1997
11997
PART A-Atomic and molecular structure and dynamics-Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra
G Tu, Z Rinkevicius, O Vahtras, H Agren, U Ekstrom, P Norman, ...
Physical Review-Section A-Atomic Molecular and Optical Physics 76 (2), 22506 …, 2007
2007
Photoionization cross sections of charge-induced gap states: A theoretical study of doped diphenylpolyenes
L Yang, O Vahtras, H Ågren
Physical Review B 59 (8), 5457, 1999
1999
Electronic structure: Wide-band, narrow-band, and strongly correlated systems-Photoionization cross sections of charge-induced gap states: A theoretical study of doped …
L Yang, O Vahtras, H Agren
Physical Review-Section B-Condensed Matter 59 (8), 5457-5462, 1999
1999
Self-consistent field calculations of X-ray emission spectra of surface adsorbates and polymers
H Agren, LGM Pettersson, V Carravetta, Y Luo, L Yang, O Vahtras
Le Journal de Physique IV 7 (C2), C2-515-C2-516, 1997
1997
Ab-lnitio Static Exchange Calculations of Shake-Up Spectra of Molecules and Surface Adsorbates
V Carravetta, L Yang, O Vahtras, H Agren, LGM Pettersson
Journal de Physique IV 7 (2), 519-520, 1997
1997
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