Kurt Valentin Mikkelsen
Professor
- 2002
- 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
- 2001
- Published
A multipole second order Møller-Plesset solvent reaction field method
Nielsen, C. B., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 2001, In: Journal of Chemical Physics. 114, p. 7753-7760 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A phase-space method for arbitrary bimolecular gas-phase reactions: Application to the CH3CHO+HO and CH3OOH+HO reactions
Gross, A., Mikkelsen, Kurt Valentin & Stockwell, W. R., 2001, In: International Journal of Quantum Chemistry. 84, p. 493-512Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A phase-space method for arbitrary bimolecular gas-phase reactions: Theoretical description
Gross, A., Mikkelsen, Kurt Valentin & Stockwell, W. R., 2001, In: International Journal of Quantum Chemistry. 84, p. 479-492Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A quantum mechanical method for calculating nonlinear optical properties of condensed phase molecules coupled to a molecular mechanics field: A quadratic multiconfigurational self-consistent-field/molecular mechanics response method
Poulsen, T. D., Ogilby, P. R. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 7843-7851Research output: Contribution to journal › Journal article › Research › peer-review
- Published
An atomic capacitance-polarizability model for the calculation of molecular dipole mements and polarizabilities
Jensen, L., Aastrand, P. O. & Mikkelsen, Kurt Valentin, 2001, In: International Journal of Quantum Chemistry. 84, p. 513-522Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Frequency-dependent polarizability of boron nitride nanotubes: A theoretical study
Kongsted, J., Osted, A., Jensen, L., Aastrand, P. O. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Physical Chemistry B. 105, p. 10243-10248Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Heterogeneous solvation: An ab initio approach
Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 3792-3803Research output: Contribution to journal › Journal article › Research › peer-review
- Published
MP2 correlation effects upon the electronic and vibrational properties of polyyne
Poulsen, T. D., Mikkelsen, Kurt Valentin, Fripiat, J. G., Jacquemin, D. & Champagne, B., 2001, In: Journal of Chemical Physics. 114, p. 5917-5922Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism
Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 8185-8192Research 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 -
277
downloads
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 -
262
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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