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2002
Mark Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
Hald, K ; Jorgensen, P ; Christiansen, Ove ^LU and Koch, H (2002) In Journal of Chemical Physics 116(14). p.5963-5970
- Contribution to journal › Article
Mark Polyampholyte-induced repulsion between charged surfaces: Monte Carlo simulation studies
Broukhno, Andrei ^LU ; Khan, Malek O ; Åkesson, Torbjörn ^LU and Jönsson, Bo ^LU (2002) In Langmuir 18(16). p.6429-6436
- Contribution to journal › Article
Mark Quasi diabatic CASSCF state functions
Fülscher, Markus P ^LU and Serrano-Andres, L (2002) Molecular Quantum Mechanics: The Right Answer for the Right Reason. An International Conference in Honour of Professor Ernest R. Davidson 100(6). p.903-909
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
Mark Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
Olsen, L ; Christiansen, Ove ^LU ; Hemmingsen, L ; Sauer, SPA and Mikkelsen, KV (2002) In Journal of Chemical Physics 116(4). p.1424-1434
- Contribution to journal › Article
Mark Density Functional Study of Surface Forces in Athermal Polymer Solutions with Addititve Hard Sphere Interactions. Solvent Effects, Capillary Condensation and Capillary-Induced Surface Transitions.
Forsman, Jan ^LU ; Woodward, Clifford E. and Freasier, Ben C. (2002) In Journal of Chemical Physics 117(4). p.1915-1926
- Contribution to journal › Article
Mark Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O
Christiansen, Ove ^LU ; Ruden, TA ; Ruud, K and Helgaker, T (2002) In Journal of Chemical Physics 116(19). p.8334-8342
- Contribution to journal › Article
Mark Theoretical study of the unusual potential energy curve of the A (1)Sigma(+) state of AgH
Witek, HA ; Fedorov, DG ; Hirao, K ; Viel, A and Widmark, Per-Olof ^LU (2002) In Journal of Chemical Physics 116(19). p.8396-8406
- Contribution to journal › Article
Mark Modulation of colloidal forces with polyampholytes
Jönsson, Bo ^LU ; Khan, Malek O ; Åkesson, Torbjörn ^LU and Woodward, Cliff E (2002) In Langmuir 18(4). p.1426-1432
- Contribution to journal › Article
Mark A theoretical study of the 2(1)A(g)
Stalring, J ; Gagliardi, L ; Malmqvist, Per-Åke ^LU and Lindh, Roland ^LU (2002) In Molecular Physics 100(11). p.1791-1796
- Contribution to journal › Article
Mark A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions
Stålring, Jonna ; Bernhardsson, Anders and Malmqvist, Per-Åke ^LU (2002) In Journal of Chemical Physics 117(3). p.1010-1016
- Contribution to journal › Article

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