Kasper Kristensen

Research output

Research output per year 2008 2011 2012 2013 2016 2017 2024

• 39 Journal article
• 1 Ph.D. thesis

Research output per year

Research output per year

Search results

• 2024

  Influence of Candle Emissions on Monoterpene Oxidation Chemistry and Secondary Organic Aerosol

  Wang, K., Rasmussen, B. B., Thomsen, D., Zhang, Y., Jensen, M. M., Kristensen, K., Hoffmann, T., Glasius, M. & Bilde, M., 3 Dec 2024, In: Environmental Science & Technology. 58, 48, p. 21265–21274 10 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Chemistry 100%
  • Pinene 100%
  • Monoterpene 100%
  • Oxidation Chemistry 100%
  • Candle Emissions 100%

• Low-cost sensor-based investigation of CO₂ and volatile organic compounds in classrooms: Exploring dynamics, ventilation effects and perceived air quality relations

  Sørensen, S. B. & Kristensen, K., Apr 2024, In: Building and Environment. 254, 111369.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Health Care Cost 100%
  • Carbon Dioxide 100%
  • Volatile Organic Compound 100%
  • Dynamics 100%
  • Air Quality 100%
  8 Citations (Scopus)

  12 Downloads (Pure)
• 2023

  Gas-particle partitioning of semivolatile organic compounds when wildfire smoke comes to town

  Liang, Y., Wernis, R. A., Kristensen, K., Kreisberg, N. M., Croteau, P. L., Herndon, S. C., Chan, A. W. H., Ng, N. L. & Goldstein, A. H., Oct 2023, In: Atmospheric Chemistry and Physics. 23, 19, p. 12441-12454 14 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  • Organic Compound 100%
  • Gas Particle 100%
  • Smoke 100%
  • Biomass Burning 66%
  • Desorption 66%
  6 Citations (Scopus)
• 2019

  Cluster perturbation theory: III. Perturbation series for coupled cluster singles and doubles excitation energies

  Baudin, P., Pawłowski, F., Bykov, D., Liakh, D., Kristensen, K., Olsen, J. & Jørgensen, P., 2019, In: Journal of Chemical Physics. 150, 13, 23 p., 134110.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • k·p perturbation theory 100%
  • Coupled Cluster Singles and Doubles Theory 100%
  • Configuration Interaction 16%
  22 Citations (Scopus)

  196 Downloads (Pure)
• 2017

  A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)

  Baudin, P., Bykov, D., Liakh, D., Ettenhuber, P. & Kristensen, K., 17 Sept 2017, In: Molecular Physics. 115, 17-18, p. 2135-2144 10 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Excitation Energy 100%
  • Coupled Cluster Singles and Doubles Theory 100%
  • Black Box 28%
  • Illustrates 14%
  • Organic Molecule 14%
  21 Citations (Scopus)

• Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters

  Elm, J. & Kristensen, K., 2017, In: Physical Chemistry Chemical Physics. 19, 2, p. 1122-1133 12 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Hydrogen 100%
  • Binding Energy 100%
  • CCSD 40%
  • Density Functional Theory 20%
  • k·p perturbation theory 20%
  89 Citations (Scopus)

• CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx)

  Baudin, P., Kjærgaard, T. & Kristensen, K., 14 Apr 2017, In: Journal of Chemical Physics. 146, 14, p. 144107 144107.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Bivalirudin 100%
  3 Citations (Scopus)

• Correlated natural transition orbital framework for low-scaling excitation energy calculations (CorNFLEx)

  Baudin, P. & Kristensen, K., 7 Jun 2017, In: Journal of Chemical Physics. 146, 21, 214114.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  21 Citations (Scopus)

• Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires

  Kjærgaard, T., Baudin, P., Bykov, D., Eriksen, J. J., Ettenhuber, P., Kristensen, K., Larkin, J., Liakh, D., Pawlowski, F., Vose, A., Wang, Y. M. & Jørgensen, P., 1 Mar 2017, In: Computer Physics Communications. 212, p. 152-160 9 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • k·p perturbation theory 100%
  • Møller-Plesset Perturbation Theory 100%
  • Multiphoton Ionization (MPI) 100%
  • Auxiliaries 100%
  • Scalability 100%
  19 Citations (Scopus)

• The divide–expand–consolidate coupled cluster scheme

  Kjærgaard, T., Baudin, P., Bykov, D., Kristensen, K. & Jørgensen, P., 1 Nov 2017, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 7, 6, 16 p., e1319.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Molecular Property 100%
  • Black-Box Method 100%
  46 Citations (Scopus)
• 2016

  A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation

  Kristensen, K., Eriksen, J. J., Matthews, D. A., Olsen, J. & Jørgensen, P., 14 Feb 2016, In: The Journal of Chemical Physics. 144, 6, 9 p., 064103.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • k·p perturbation theory 100%
  • Coupled Cluster 100%
  • CCSD 100%
  • Lagrangian 100%
  • Lagrangian Formulation 100%
  21 Citations (Scopus)

  250 Downloads (Pure)

• Convergence of coupled cluster perturbation theory

  Eriksen, J. J., Kristensen, K., Matthews, D., Jørgensen, P. & Olsen, J., 14 Dec 2016, In: Journal of Chemical Physics. 145, 22, 11 p., 224104.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • k·p perturbation theory 100%
  • Coupled Cluster 100%
  • Configuration Interaction 25%
  • Energetics 25%
  • Coupled Cluster Theory 25%
  7 Citations (Scopus)

  374 Downloads (Pure)

• Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model

  Baudin, P., Ettenhuber, P., Reine, S., Kristensen, K. & Kjærgaard, T., 7 Feb 2016, In: Journal of Chemical Physics. 144, 5, 10 p., 054102.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Energy Engineering 100%
  • Size System 100%
  • k·p perturbation theory 100%
  • Møller-Plesset Perturbation Theory 100%
  • Approximation (Algorithm) 100%
  50 Citations (Scopus)

  351 Downloads (Pure)

• Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context

  Wang, Y. M., Hättig, C., Reine, S., Valeev, E., Kjærgaard, T. & Kristensen, K., 28 May 2016, In: The Journal of Chemical Physics. 144, 204112, 15 p., 204112.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Energy Engineering 100%
  • Proof-of-Concept 100%
  • k·p perturbation theory 100%
  • Perturbation Theory 100%
  • Electron Correlation Energy 50%
  17 Citations (Scopus)

  283 Downloads (Pure)

• LoFEx — A local framework for calculating excitation energies: Illustrations using RI-CC2 linear response theory

  Baudin, P. & Kristensen, K., 14 Jun 2016, In: Journal of Chemical Physics. 144, 22, 11 p., 224106.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Coupled Cluster 100%
  • Organic Molecule 100%
  • Coupled Cluster Theory 100%
  • Linear Response 100%
  • Excitation Energy 100%
  39 Citations (Scopus)

  272 Downloads (Pure)

• Orbital spaces in the divide-expand-consolidate coupled cluster method

  Ettenhuber, P., Baudin, P., Kjærgaard, T., Jørgensen, P. & Kristensen, K., 28 Apr 2016, In: The Journal of Chemical Physics. 144, 16, 16 p., 164116.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Coupled Cluster Singles and Doubles Theory 100%
  • Coupled Cluster Methods 100%
  • Error Source 100%
  • Energy Engineering 50%
  • Møller-Plesset Perturbation Theory 33%
  24 Citations (Scopus)

  190 Downloads (Pure)

• The explicitly correlated same number of optimized parameters (SNOOP-F12) scheme for calculating intermolecular interaction energies

  Rasmussen, T. H., Wang, Y. M., Kjærgaard, T. & Kristensen, K., 28 May 2016, In: The Journal of Chemical Physics. 144, 20, 13 p., 204102.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Intermolecular Force 100%
  • Molecular Cluster 100%
  • k·p perturbation theory 33%
  • Methane 33%
  4 Citations (Scopus)

  231 Downloads (Pure)

• The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

  Bykov, D., Kristensen, K. & Kjærgaard, T., 14 Jul 2016, In: Journal of Chemical Physics. 145, 2, 10 p., 024106.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Test Set 100%
  • Perturbation Theory 100%
  • Basis Function 100%
  • k·p perturbation theory 100%
  • Møller-Plesset Perturbation Theory 100%
  27 Citations (Scopus)

  218 Downloads (Pure)
• 2015

  Accuracy of Protein Embedding Potentials: An Analysis in Terms of Electrostatic Potentials

  Olsen, J. M. H., List, N. H., Kristensen, K. & Kongsted, J., 23 Mar 2015, In: Journal of Chemical Theory and Computation. 11, 4, p. 1832–1842 11 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  45 Citations (Scopus)

• Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model

  Eriksen, J. J., Baudin, P., Ettenhuber, P., Kristensen, K., Kjaergaard, T. & Jorgensen, P., Jul 2015, In: Journal of Chemical Theory and Computation. 11, 7, p. 2984-2993 10 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Coupled Cluster Singles and Doubles Theory 100%
  • Coupled Cluster 100%
  • Energy Engineering 100%
  • Proof-of-Concept 33%
  • Correlation Method 33%
  84 Citations (Scopus)

• The same number of optimized parameters scheme for determining intermolecular interaction energies

  Kristensen, K., Ettenhuber, P., Eriksen, J. J., Jensen, F. & Jørgensen, P., 20 Mar 2015, In: Journal of Chemical Physics. 142, 11 p., 114116.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File
  11 Citations (Scopus)

  332 Downloads (Pure)
• 2014

  A Lagrangian framework for deriving triples and quadruples corrections to the CCSD energy

  Eriksen, J. J., Kristensen, K., Kjærgaard, T., Jørgensen, P. & Gauss, J., 2014, In: Journal of Chemical Physics. 140, p. 064108 11 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • Energy Engineering 100%
  • Lagrangian Framework 100%
  • Coupled Cluster Singles and Doubles Theory 100%
  • Lagrangian 100%
  • Reference State 16%
  45 Citations (Scopus)

  425 Downloads (Pure)

• The Dalton quantum chemistry program system

  Aidas, K., Angeli, C., Bak, K. L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E. K., Ekström, U., Enevoldsen, T., Eriksen, J. J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L. & Hald, K. & 64 others, Halkier, A., Hättig, C., Heiberg, H., Helgaker, T., Hennum, A. C., Hettema, H., Hjertenæs, E., Høst, S., Høyvik, I.-M., Iozzi, M. F., Jansík, B., Jensen, H. J. A., Jonsson, D., Jørgensen, P., Kauczor, J., Kirpekar, S., Kjærgaard, T., Klopper, W., Knecht, S., Kobayashi, R., Koch, H., Kongsted, J., Krapp, A., Kristensen, K., Ligabue, A., Lutnæs, O. B., Melo, J. I., Mikkelsen, K. V., Myhre, R. H., Neiss, C., Nielsen, C. B., Norman, P., Olsen, J., Olsen, J. M. H., Osted, A., Packer, M. J., Pawlowski, F., Pedersen, T. B., Provasi, P. F., Reine, S., Rinkevicius, Z., Ruden, T. A., Ruud, K., Rybkin, V. V., Sałek, P., Samson, C. C. M., de Merás, A. S., Saue, T., Sauer, S. P. A., Schimmelpfennig, B., Sneskov, K., Steindal, A. H., Sylvester-Hvid, K. O., Taylor, P. R., Teale, A. M., Tellgren, E. I., Tew, D. P., Thorvaldsen, A. J., Thøgersen, L., Vahtras, O., Watson, M. A., Wilson, D., Ziolkowski, M. & Ågren, H., 2014, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 4, 3, p. 269–284 16 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  1323 Citations (Scopus)
• 2013

  A perspective on the localizability of Hartree-Fock orbitals

  Høyvik, I.-M., Kristensen, K., Kjærgaard, T. & Jørgensen, P., 2013, In: Theoretical Chemistry Accounts. 133, 1, 10 p., UNSP 1417 .

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  24 Citations (Scopus)

• Electrostatic potential of insulin: Exploring the limitations of density functional theory and force field methods

  Jakobsen, S., Kristensen, K. & Jensen, F., 2013, In: Journal of Chemical Theory and Computation. 9, 9, p. 3978-3985 8 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Density Functional Theory 100%
  • Electrostatic Potential 100%
  • Density 100%
  • Møller-Plesset Perturbation Theory 66%
  • Electron Transfer 33%
  47 Citations (Scopus)

• Local Hartree-Fock orbitals using a three-level optimization strategy for the energy

  Høyvik, I.-M., Jansik, B., Kristensen, K. & Jørgensen, P., 2013, In: Journal of Computational Chemistry. 34, 15, p. 1311-1320 10 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  10 Citations (Scopus)

• The divide–expand–consolidate MP2 scheme goes massively parallel

  Kristensen, K., Kjærgaard, T., Høyvik, I.-M., Ettenhuber, P., Jørgensen, P., Jansik, B., Reine, S. & Jakowski, J., 2013, In: Molecular Physics. 111, 9-11, p. 1196-1210 15 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  41 Citations (Scopus)
• 2012

  Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme

  Kristensen, K., Jørgensen, P., Jansik, B., Kjærgaard, T. & Reine, S., 2012, In: Journal of Chemical Physics. 137, 114102, 20 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File

  • k·p perturbation theory 100%
  • Møller-Plesset Perturbation Theory 100%
  • Energy Engineering 100%
  • Electron Correlation 50%
  • Order Energy 50%
  47 Citations (Scopus)

  585 Downloads (Pure)

• MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme

  Kristensen, K., Høyvik, I.-M., Jansik, B., Jørgensen, P., Kjærgaard, T., Reine, S. & Jakowski, J., 2012, In: Physical Chemistry Chemical Physics. 14, 45, p. 15706-15714 9 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  63 Citations (Scopus)

• Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

  Helgaker, T., Coriani, S., Jørgensen, P., Kristensen, K., Olsen, J. & Ruud, K., 2012, In: Chemical Reviews. 112, 543

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  568 Citations (Scopus)

• The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Mo̸ller-Plesset perturbation theory.

  Høyvik, I.-M., Kristensen, K., Jørgensen, P. & Jansik, B., 2012, In: Journal of Chemical Physics. 136, 014105, 16 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  Open Access

  File
  262 Downloads (Pure)
• 2011

  A Locality Analysis of the Divide-Expand-Consolidate Coupled Cluster Amplitude Equations

  Kristensen, K., Ziolkowski, M., Jansik, B., Kjærgaard, T. & Jørgensen, P., 18 Apr 2011, In: Journal of Chemical Theory and Computation. 7, 6, p. 1677-1694 18 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  98 Citations (Scopus)

• Comparison of standard and damped response formulations of magnetic circular dichroism

  Kjærgaard, T., Kristensen, K., Kauczor, J., Jørgensen, P., Coriani, S. & Thorvaldsen, A., 14 Jul 2011, In: Journal of Chemical Physics. 135, p. 024112 16 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  16 Citations (Scopus)

• Damped response theory description of two-photon absorption

  Kristensen, K., Kauczor, J., Thorvaldsen, A., Jørgensen, P., Kjærgaard, T. & Rizzo, A., 1 Jun 2011, In: Journal of Chemical Physics. 134, p. 214104 17 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  File
  40 Citations (Scopus)

  662 Downloads (Pure)

• Local orbitals by minimizing powers of the orbital variance

  Jansik, B., Høst, S., Kristensen, K. & Jørgensen, P., 16 May 2011, In: Journal of Chemical Physics. 134, 19, p. 194104 9 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  File

  • Molecular Orbital 100%
  • Wave Function 50%
  • Atomic Orbital 50%
  73 Citations (Scopus)

  687 Downloads (Pure)

• Variational Response-function Formulation of Vibrational Circular Dichroism

  Coriani, S., Thorvaldsen, A. J., Kristensen, K. & Jørgensen, P., 2011, In: Physical Chemistry Chemical Physics. 13, p. 4224-4229 6 p.

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
  16 Citations (Scopus)
• 2009

  Quasienergy formulation of damped response theory

  Kristensen, K., Kauczor, J., Kjærgaard, T. & Jørgensen, P., 2009, In: Journal of Chemical Physics. 131, 4, p. 044112

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  64 Citations (Scopus)
• 2008

  A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets

  J. Thorvaldsen, A., Ruud, K., Kristensen, K., Jørgensen, P. & Coriani, S., 2008, In: Journal of Chemical Physics. 129, p. 214108

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  105 Citations (Scopus)

• Efficient elimination of response parametes in molecular property calculations for variational and non-variational energies

  Kristensen, K., Jørgensen, P., J. Thorvaldsen, A. & Helgaker, T., 2008, In: Journal of Chemical Physics. 129, p. 214103

  Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review