The second-order approximate coupled cluster singles and doubles model CC2 O Christiansen, H Koch, P Jørgensen Chemical Physics Letters 243 (5-6), 409-418, 1995 | 1955 | 1995 |
The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014 | 1468 | 2014 |
Response functions from Fourier component variational perturbation theory applied to a time‐averaged quasienergy O Christiansen, P Jørgensen, C Hättig International Journal of Quantum Chemistry 68 (1), 1-52, 1998 | 658 | 1998 |
Response functions in the CC3 iterative triple excitation model O Christiansen, H Koch, P Jo/rgensen The Journal of chemical physics 103 (17), 7429-7441, 1995 | 607 | 1995 |
The CC3 model: An iterative coupled cluster approach including connected triples H Koch, O Christiansen, P Jo/rgensen, AM Sanchez de Merás, T Helgaker The Journal of chemical physics 106 (5), 1808-1818, 1997 | 516 | 1997 |
Vibrational coupled cluster theory O Christiansen The Journal of chemical physics 120 (5), 2149-2159, 2004 | 367 | 2004 |
DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 351 | 2001 |
Vibrational structure theory: new vibrational wave function methods for calculation of anharmonic vibrational energies and vibrational contributions to molecular properties O Christiansen Physical Chemistry Chemical Physics 9 (23), 2942-2953, 2007 | 296 | 2007 |
Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models H Koch, O Christiansen, P Jørgensen, J Olsen Chemical physics letters 244 (1-2), 75-82, 1995 | 294 | 1995 |
Surprising cases of divergent behavior in Mo/ller–Plesset perturbation theory J Olsen, O Christiansen, H Koch, P Jo/rgensen The Journal of chemical physics 105 (12), 5082-5090, 1996 | 263 | 1996 |
Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory O Christiansen, H Koch, P Jørgensen, J Olsen Chemical physics letters 256 (1-2), 185-194, 1996 | 262 | 1996 |
Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies O Christiansen, H Koch, P Jo/rgensen The Journal of chemical physics 105 (4), 1451-1459, 1996 | 261 | 1996 |
Møller–Plesset perturbation theory for vibrational wave functions O Christiansen The Journal of chemical physics 119 (12), 5773-5781, 2003 | 237 | 2003 |
Two-photon absorption in tetraphenylporphycenes: are porphycenes better candidates than porphyrins for providing optimal optical properties for two-photon photodynamic therapy? J Arnbjerg, A Jiménez-Banzo, MJ Paterson, S Nonell, JI Borrell, ... Journal of the American Chemical Society 129 (16), 5188-5199, 2007 | 233 | 2007 |
Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties O Christiansen, A Halkier, H Koch, T Helgaker The Journal of chemical physics 108 (7), 2801-2816, 1998 | 233 | 1998 |
A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models A Halkier, H Koch, P Jørgensen, O Christiansen, IMB Nielsen, T Helgaker Theoretical Chemistry Accounts 97, 150-157, 1997 | 232 | 1997 |
Frequency-dependent polarizabilities and first hyperpolarizabilities of CO and H2O from coupled cluster calculations O Christiansen, J Gauss, JF Stanton Chemical physics letters 305 (1-2), 147-155, 1999 | 223 | 1999 |
Two-photon dissociation and ionization of liquid water studied by femtosecond transient absorption spectroscopy CL Thomsen, D Madsen, SR Keiding, O Christiansen The Journal of chemical physics 110 (7), 3453-3462, 1999 | 223 | 1999 |
Large‐scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene O Christiansen, H Koch, A Halkier, T Helgaker, A Sánchez de Merás The Journal of chemical physics 105 (16), 6921-6939, 1996 | 215 | 1996 |
Excited state coupled cluster methods K Sneskov, O Christiansen Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 566-584, 2012 | 211 | 2012 |