K
Kristian Sneskov
Researcher at Aarhus University
Publications - 11
Citations - 1860
Kristian Sneskov is an academic researcher from Aarhus University. The author has contributed to research in topics: Coupled cluster & Excited state. The author has an hindex of 10, co-authored 11 publications receiving 1620 citations. Previous affiliations of Kristian Sneskov include University of Southern Denmark & Foundation Center.
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Journal ArticleDOI
The Dalton quantum chemistry program system
Kestutis Aidas,Celestino Angeli,Keld L. Bak,Vebjørn Bakken,Radovan Bast,Linus Boman,Ove Christiansen,Renzo Cimiraglia,Sonja Coriani,Pål Dahle,Erik K. Dalskov,Ulf Ekström,Thomas Enevoldsen,Janus J. Eriksen,Patrick Ettenhuber,Berta Fernández,Lara Ferrighi,Heike Fliegl,Luca Frediani,Kasper Hald,Asger Halkier,Christof Hättig,Hanne Heiberg,Trygve Helgaker,Alf C. Hennum,Hinne Hettema,Eirik Hjertenæs,Stine Høst,Ida-Marie Høyvik,Maria Francesca Iozzi,Brannislav Jansik,Hans-Jørgen Aa. Jensen,Dan Jonsson,Poul Jørgensen,Johanna Kauczor,Sheela Kirpekar,Thomas Kjærgaard,Wim Klopper,Stefan Knecht,Rika Kobayashi,Henrik Koch,Jacob Kongsted,Andreas Krapp,Kasper Kristensen,Andrea Ligabue,Ola B. Lutnæs,Juan Ignacio Melo,Kurt V. Mikkelsen,Rolf H. Myhre,Christian Neiss,Christian B. Nielsen,Patrick Norman,Jeppe Olsen,Jógvan Magnus Haugaard Olsen,Anders Osted,Martin J. Packer,Filip Pawłowski,Thomas Bondo Pedersen,Patricio Federico Provasi,Simen Reine,Zilvinas Rinkevicius,Torgeir A. Ruden,Kenneth Ruud,Vladimir V. Rybkin,Paweł Sałek,Claire C. M. Samson,Alfredo Sánchez de Merás,Trond Saue,Stephan P. A. Sauer,Bernd Schimmelpfennig,Kristian Sneskov,Arnfinn Hykkerud Steindal,Kristian O. Sylvester-Hvid,Peter R. Taylor,Andrew M. Teale,Erik I. Tellgren,David P. Tew,Andreas J. Thorvaldsen,Lea Thøgersen,Olav Vahtras,Mark A. Watson,David J. D. Wilson,Marcin Ziółkowski,Hans Ågren +83 more
TL;DR: Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self‐consistent‐field, Møller–Plesset, configuration‐interaction, and coupled‐cluster levels of theory.
Journal ArticleDOI
Excited state coupled cluster methods
TL;DR: In this article, a review of coupled cluster (CC) theory for electronic excited states is presented, and the basics of a CC response theory framework that allows the transfer of the attractive accuracy and convergence properties associated with CC methods over to the calculation of electronic excitation energies and properties.
Journal ArticleDOI
The polarizable embedding coupled cluster method.
TL;DR: A new combined quantum mechanics/molecular mechanics (QM/MM) method based on a self-consistent polarizable embedding (PE) scheme is formulated and the relative importance of multipoles and polarizabilities in the description of two-photon absorption activity for formamide in aqueous solution is investigated.
Journal ArticleDOI
Scrutinizing the effects of polarization in QM/MM excited state calculations
TL;DR: A systematic investigation of solvent polarization effects by identifying lower order polarization reaction fields as compared to the full treatment, which constitutes an important step towards dissecting the accuracy of such calculations.
Journal ArticleDOI
Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solvent Potentials in Polarizable Embedding Calculations.
Tobias Schwabe,Jógvan Magnus Haugaard Olsen,Kristian Sneskov,Kristian Sneskov,Jacob Kongsted,Ove Christiansen,Ove Christiansen +6 more
TL;DR: It is illustrated that the use of advanced solvent potentials can provide higher accuracy compared to various simpler approaches for the prediction of solvent shifts and do so in a computationally competitive manner.