Frank, M. S., Lee, T.-H.
, Bhattacharyya, G., Tsang, P. K. H., Quito, V. L., Dobrosavljevic, V.
, Christiansen, O. & Lanata, N. (2021).
Quantum embedding description of the Anderson lattice model with the ghost Gutzwiller approximation.
Physical Review B - Condensed Matter and Materials Physics,
104(8), Article L081103 .
https://doi.org/10.1103/PhysRevB.104.L081103
Sparta, M., Hoyvik, I.-M.
, Toffoli, D. & Christiansen, O. (2009).
Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
113(30), 8712-8723.
Cukras, J., Coriani, S., Decleva, P.
, Christiansen, O. & Norman, P. (2013).
Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra.
Journal of Chemical Physics,
139(9), Article 094103.
https://doi.org/10.1063/1.4819126
Rajput, J., Rahbek, D. B., Andersen, L. H., Rinza, T. R., Christiansen, O., Bravaya, K. B., Erokhin, A. V., Bochenkova, A. V., Solntsev, K. M., Dong, J., Kowalik, J., Tolbert, L. M., Åxman Petersen, M. & Brøndsted Nielsen, M. (2009).
Photoabsorption studies of neutral green fluorescent protein model chromophores in vacuo.
Physical Chemistry Chemical Physics,
11, 9996-10002.
https://doi.org/10.1039/b914276b
Schwabe, T., Sneskov, K., Olsen, J. M. H., Kongsted, J.
, Christiansen, O. & Hättig, C. (2012).
PERI-CC2: a polarizable embedded RI-CC2 method.
Journal of Chemical Theory and Computation.
https://doi.org/10.1021/ct3003749
List, N. H.
, Olsen, J. M. H., Rocha-Rinza, T.
, Christiansen, O. & Kongsted, J. (2012).
Performance of Popular XC-Functionals for the Description of Excitation Energies in GFP-Like Chromophore Models.
International Journal of Quantum Chemistry,
112(3), 789-800.
https://doi.org/10.1002/qua.23059
Majland, M., Jensen, R. B., Højlund, M. G., Zinner, N. T. & Christiansen, O. (2023).
Optimizing the number of measurements for vibrational structure on quantum computers: coordinates and measurement schemes.
Chemical Science,
14(28), 7733-7742.
https://doi.org/10.1039/d3sc01984e
Aidas, K., Mogelhoj, A., Nielsson, E. JK., Johnson, M. S., Mikkelsen, K. V.
, Christiansen, O., Soderhjelm, P.
& Kongsted, J. (2008).
On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution.
Journal of Chemical Physics,
128(19), 194503.
Coriani, S., Halkier, A., Jonsson, D., Gauss, J., Rizzo, A.
& Christiansen, O. (2003).
On the electric field gradient induced birefringence and electric quadrupole moment of co, n2o, and ocs.
Journal of Chemical Physics,
118, 7329-7339.
Seidler, P., Kaga, T., Yagi, K.
, Christiansen, O. & Hirao, K. (2009).
On the coupling strength in potential energy surfaces for vibrational calculations.
Chemical Physics Letters,
483(1-3), 138-142.
Arnbjerg, J., J. Paterson, M., B. Nielsen, C., Jørgensen, M.
, Christiansen, O. & Ogilby, P. R. (2007).
One- and two-photon photosensitized singlet oxygen production: Characterization of aromatic ketones as sensitizer standards.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
111, 5756-5767.
Kongsted, J., B. Nielsen, C., V. Mikkelsen, K.
, Christiansen, O. & Ruud, K. (2007).
Nuclear magnetic shielding constants of liquid water. Insights from hybrid quantum mechanics/molecular mechanics models.
Journal of Chemical Physics,
126, 034510/1-034510/8.
Hansen, M. B., Sparta, M., Seidler, P., Toffoli, D.
& Christiansen, O. (2010).
New Formulation and Implementation of Vibrational Self-Consistent Field Theory.
Journal of Chemical Theory and Computation,
6, 235-248.
Jensen, A. B., Kubečka, J., Schmitz, G.
, Christiansen, O. & Elm, J. (2022).
Massive Assessment of the Binding Energies of Atmospheric Molecular Clusters.
Journal of Chemical Theory and Computation,
18(12), 7373-7383.
https://doi.org/10.1021/acs.jctc.2c00825