Ove Christiansen
0000-0001-9215-571X
Aarhus Universitet
8 papers found
Refreshing results…
Vibrationally resolved coupled-cluster x-ray absorption spectra from vibrational configuration interaction anharmonic calculations
Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach
Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors
Atomic-batched tensor decomposed two-electron repulsion integrals
Linear-scaling generation of potential energy surfaces using a double incremental expansion
FALCON: A method for flexible adaptation of local coordinates of nuclei
Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states
Automatic determination of important mode–mode correlations in many-mode vibrational wave functions
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