Browsing Kjemisk institutt by Author "Bodenstein, Tilmann"
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Bodenstein, Tilmann; Kvaal, Simen (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)A state-specific multireference coupled-cluster (MRCC) method based on Arponen’s bivariational principle is presented, the bivar-MRCC method. The method is based on single-reference theory and therefore has a relatively ...
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Bodenstein, Tilmann; Heimermann, Andreas; Fink, Karin; van Wüllen, Christoph (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)We present a spin-orbit configuration interaction program which has been tailored for the description of the magnetic properties of polynuclear metal complexes with partially filled d- and f-shells. The spin-orbit operators ...
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Kvaal, Simen; Laestadius, Andre; Bodenstein, Tilmann (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)A wide class of coupled-cluster methods is introduced, based on Arponen's extended coupled-cluster theory. This class of methods is formulated in terms of a coordinate transformation of the cluster operators. The mathematical ...
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Pedersen, Thomas Bondo; Kristiansen, Håkon Emil; Bodenstein, Tilmann; Kvaal, Simen; Schøyen, Øyvind Sigmundson (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)We demonstrate theoretically and numerically that laser-driven many-electron dynamics, as described by bivariational time-dependent coupled-cluster theory, may be analyzed in terms of stationary-state populations. Projectors ...