Jensen, A. B., Højlund, M. G., Zoccante, A., Madsen, N. K.
& Christiansen, O. (2023).
Efficient time-dependent vibrational coupled cluster computations with time-dependent basis sets at the two-mode coupling level: Full and hybrid TDMVCC[2].
The Journal of Chemical Physics,
159(20), Artikel 204106.
https://doi.org/10.1063/5.0175506
Johnsen, M., Paterson, M. J., Arnbjerg, J.
, Christiansen, O., Nielsen, C. B., Jørgensen, M.
& Ogilby, P. R. (2008).
Effects of Conjugation Length and Resonance Enhancement on Two-Photon Absorption in Phenylene-Vinylene Oligomers.
Physical Chemistry Chemical Physics,
10, 1177-1191.
List, N. H., Pimenta, F. M., Holmegaard, L., Jensen, R. L., Etzerodt, M., Schwabe, T., Kongsted, J.
, Ogilby, P. R. & Christiansen, O. (2014).
Effect of chromophore encapsulation on linear and nonlinear optical properties: the case of "miniSOG", a protein-encased flavin.
Physical Chemistry Chemical Physics,
16(21), 9950-9959.
https://doi.org/10.1039/c3cp54470b
Madsen, M. S.
, Gross, A., Falsig, H., Osted, A., Kongsted, J., Mikkelsen, K. V.
& Christiansen, O. (2008).
Determination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation.
Chemical Physics,
348(1-3), 21-30.
Kubečka, J., Knattrup, Y., Engsvang, M., Jensen, A. B., Ayoubi, D.
, Wu, H., Christiansen, O. & Elm, J. (2023).
Current and future machine learning approaches for modeling atmospheric cluster formation.
Nature Computational Science,
3(6), 495-503.
https://doi.org/10.1038/s43588-023-00435-0
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
Aidas, K., Kongsted, J., Osted, A., Mikkelsen, K. V.
& Christiansen, O. (2005).
Coupled cluster calculation of the n -›pi* electronic transition of acetone in aqueous solution.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
109, 8001-8010.
Sneskov, K., Olsen, J. M. H., Schwabe, T., Hättig, C.
, Christiansen, O. & Kongsted, J. (2013).
Computational screening of one-and two-photon spectrally tuned Channelrhodopsin mutants.
Physical Chemistry Chemical Physics,
15, 7567-7576.
https://doi.org/10.1039/c3cp44350g
Fransson, T., Coriani, S.
, Christiansen, O. & Norman, P. (2013).
Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory.
Journal of Chemical Physics,
138(12), Artikel 124311.
https://doi.org/10.1063/1.4795835
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), Artikel 013101.
https://doi.org/10.1103/PhysRevResearch.3.013101