Sfoglia per Autore
Coupled cluster response functions revisited
1997 Pedersen, Thomas Bondo; Koch, Henrik
First-order one-electron properties in the integral-direct coupled cluster singles and doubles model
1997 Halkier, Asger; Koch, Henrik; Christiansen, Ove; Jørgensen, Poul; Helgaker, Trygve
Basis-set convergence of correlated calculations on water
1997 Helgaker, Trygve; Klopper, Wim; Koch, Henrik; Noga, Jozef
The Hartree–Fock magnetizability of C60
1998 Ruud, Kenneth; Ågren, Hans; Helgaker, Trygve; Dahle, Pål; Koch, Henrik; Taylor, Peter R
Basis-set convergence in correlated calculations on Ne, N2, and H2O
1998 Halkier, Asger; Helgaker, Trygve; Jørgensen, Poul; Klopper, Wim; Koch, Henrik; Olsen, Jeppe; Wilson, Angela K.
Comment on "Response to 'Comment on "Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?" [J. Chem. Phys. 109, 9201 (1998)]
1998 Hattig, C; Koch, H; Jorgensen, P
The benzene-argon complex: A ground and excited state ab initio study
1998 Koch, Henrik; Fernández, Berta; Christiansen, Ove
Gauge invariance of the coupled cluster oscillator strength
1998 Pedersen, Thomas Bondo; Koch, Henrik
On the time-dependent Lagrangian approach in quantum chemistry
1998 Pedersen, Thomas Bondo; Koch, Henrik
C24: Ring or fullerene?
1998 Jensen, Frank; Koch, Henrik
The vibrational and temperature dependence of the indirect nuclear spin-spin coupling constants of the oxonium (H3O+) and hydroxyl (OH-) ions
1998 Sauer, Stephan P. A.; Møller, Christa Kyhn; Koch, Henrik; Paidarová, Ivana; Špirko, Vladimír
A second-order doubles correction to excitation energies in the random-phase approximation
1998 Christiansen, Ove; Bak, Keld L.; Koch, Henrik; Sauer, Stephan P. A.
The Cotton - Mouton effect of liquid water. Part II: The semi-continuum model
1998 Ruud, Kenneth; Ågren, Hans; Dahle, Pål; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Koch, Henrik; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt V.
Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties
1998 Christiansen, Ove; Halkier, Asger; Koch, Henrik; Jørgensen, Poul; Helgaker, Trygve
Comment on "Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?" [J Chem Phys 107,10823(1997)]
1998 Hattig, C; Koch, H; Jorgensen, P
Accurate ab initio rovibronic spectrum of the X 1 Sigma(+)(g) and B 1 Sigma(+)(u) in Ar-2
1998 Fernandez, B; Koch, H
Benzene-argon S-1 intermolecular potential energy surface
1999 Fernandez, B; Koch, H; Makarewicz, J
Coupled cluster response calculation of natural chiroptical spectra
1999 Pedersen, Thomas Bondo; Koch, Henrik; Ruud, Kenneth
Ground state benzene-argon intermolecular potential energy surface
1999 Koch, Henrik; Fernández, Berta; Makarewicz, Jan
Accurate intermolecular ground state potential of the Ar-N-2 complex
1999 Fernandez, B; Koch, H; Makarewicz, J
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