Kurt Valentin Mikkelsen
Professor
- 2001
- Published
Wavefunctions and eigenvalues of image potential states
Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 114, p. 3800-3808Research output: Contribution to journal › Journal article › Research › peer-review
- 2002
- Published
Dipole and quadrupole moments of liquid water calculated within the coupled cluster/molecular mechanics method
Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2002, In: Chemical Physics Letters. 364, p. 379-386Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
Olsen, L., Christiansen, O., Hemmingsen, L., Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 2002, In: Journal of Chemical Physics. 116, p. 1424-1434Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories
Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2002, In: Molecular Physics. 100, p. 1813-1828Research output: Contribution to journal › Journal article › Research › peer-review
- 2003
- Published
A CC2 dielectric continuum model and a CC2 molecular mechanics model
Osted, A. I., Kongsted, J., Mikkelsen, Kurt Valentin & Christiansen, O., 2003, In: Molecular Physics. 101, p. 2055-2071Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A dipole interaction model for the molecular second hyperpolarizability
Jensen, L., Sylvester-Hvid, K. O., Mikkelsen, Kurt Valentin & Åstrand, P., 2003, In: Journal of Physical Chemistry A. 107, p. 2270-2276Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A quantum mechanical/molecular mechanical approach to the investigation of particle-molecule interactions
Sloth, M., Bilde, M. & Mikkelsen, Kurt Valentin, 2003, In: Journal of Chemical Physics. 118, p. 10085-10092Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Coupled cluster/molecular mechanics method: Implementation and application to liquid water
Kongsted, J., Osted, A. I. & Mikkelsen, Kurt Valentin, 2003, In: Journal of Physical Chemistry A. 107, p. 2578-2588Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Investigation of particle-molecule interaction by use of a dielectric continuum model
Sloth, M., Jørgensen, S., Bilde, M. & Mikkelsen, Kurt Valentin, 2003, In: Journal of Physical Chemistry A. 107, p. 8623-8629Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Linear response functions for coupled cluster/molecule mechanics including polarization interactions
Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2003, In: Journal of Chemical Physics. 118, p. 1620-1633Research output: Contribution to journal › Journal article › Research › peer-review
ID: 7494
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2169
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Direct probing of ion pair formation using a symmetric triangulenium dye
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
278
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Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
263
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Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique
Research output: Contribution to journal › Journal article › Research › peer-review
Published