Schwabe, T., Olsen, J. M. H., Sneskov, K., Kongsted, J.
& Christiansen, O. (2011).
Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solvent Potentials in Polarizable Embedding Calculations.
Journal of Chemical Theory and Computation,
7, 2209-2217.
https://doi.org/10.1021/ct200258g
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
Sauer, S. P. A., Haq, I. U., Sabin, J. R., Oddershede, J.
, Christiansen, O. & Coriani, S. (2013).
Coupled cluster calculations of mean excitation energies of the noble gas atoms He, Ne and Ar and of the H2 molecule.
Molecular Physics,
112(5-6), 751-761.
https://doi.org/10.1080/00268976.2013.858192
Rogers, J., Lee, T.-H.
, Pakdel, S., Xu, W., Dobrosavljevic, V., Yao, Y.-X.
, Christiansen, O. & Lanata, N. (2021).
Bypassing the computational bottleneck of quantum-embedding theories for strong electron correlations with machine learning.
Physical Review Research ,
3(1), Article 013101.
https://doi.org/10.1103/PhysRevResearch.3.013101
Rinza, T. R., Christiansen, O., Rajput, J., Gopalan, A., Rahbek, D. B., Andersen, L. H., Bochenkova, A., Granovsky, A. A., Bravaya, K. B., Nemukhin, A. V., Christiansen, K. L. & Nielsen, M. B. (2009).
Gas phase absorption studies of photoactive yellow protein chromophore derivatives.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
113(34), 9442-9449.
https://doi.org/10.1021/jp904660w
Rinza, T. R., Sneskov, K., Christiansen, O., Ryde, U. & Kongsted, J. (2011).
Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein.
Physical Chemistry Chemical Physics,
13, 1585-1589.
https://doi.org/10.1039/C0CP01075H
Rinza, T. R., Christiansen, O., Rahbek, D. B., Klærke, B., Andersen, L. H., Lincke, K. & Nielsen, M. B. (2010).
Spectroscopic Implications of the Electron Donor–Acceptor Effect in the Photoactive Yellow Protein Chromophore.
Chemistry: A European Journal,
16(39), 11977-11984.
https://doi.org/10.1002/chem.201000417
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
Paterson, M. J., Christiansen, O., Pawlowski, F.
, Jørgensen, P., Hättig, C., Helgaker, T. & Salek, P. (2006).
Benchmarking two-photon absorption with CC3 quadratic response theory,and comparison with density-functional response theory.
Journal of Chemical Physics,
124, 054322-1- 054322-10.
Paterson, M. J., Kongsted, J., Christiansen, O., Mikkelsen, K. V. & Nielsen, C. B. (2006).
Two-photon absorption cross sections: An investigation of solvent effects.Theoretical studies on formaldehyde and water.
Journal of Chemical Physics,
125, 184501-1- 184501-14.
Osted, A.
, Kongsted, J. & Christiansen, O. (2005).
Theoretical study of the electronic gas-phase spectrum of glycine, alanine, and related amines and carboxylic acids.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
109, 1430-1440.
Osted, A.
, Kongsted, J., Mikkelsen, K. V., Aastrand, P. O.
& Christiansen, O. (2006).
Statistical mechanically averaged molecularproperties of liquid water calculated using the combinedcoupled cluster/molecular dynamics method.
Journal of Chemical Physics,
124, 124503-1- 124503-16.