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- 2003
-
Mark
The allyl radical revisited: A theoretical study of the electronic spectrum.
- Contribution to journal › Article
-
Mark
Molcas programmer’s guide
Krogh, Jesper Wisborg LU ; Lindh, Roland LU ; Malmqvist, Per-Åke LU ; Roos, Björn LU ; Veryazov, Valera LU
and Widmark, Per-Olof
LU
(2003)
- Book/Report › Report
-
Mark
Molecular orbital theory.
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Molcas: a program package for computational chemistry.
Karlström, Gunnar LU ; Lindh, Roland LU ; Malmqvist, Per-Åke LU ; Roos, Björn LU ; Ryde, Ulf LU
; Veryazov, Valera
LU
; Widmark, Per-Olof
LU
; Cossi, M
; Schimmelpfennig, B
and Neogrady, P
, et al.
(2003)
Symposium on Software Development for Process and Materials Disign
In Computational Materials Science
28(2).
p.222-239
- Contribution to journal › Article
- 2002
-
Mark
Radiative singlet-triplet transition properties from coupled-cluster response theory: The importance of the S-0 -> T-1 transition for the photodissociation of water at 193 nm
- Contribution to journal › Article
-
Mark
Simple approach to polyampholytes based on chain polarizabilities
- Contribution to journal › Article
-
Mark
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
- Contribution to journal › Article
-
Mark
A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions
- Contribution to journal › Article
-
Mark
The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories
- Contribution to journal › Article
-
Mark
Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O
- Contribution to journal › Article