Dr. Ask Hjorth Larsen

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Research Overview: I currently work on combining the complex-scaling method with density functional theory (DFT). The complex-scaling method is a technique for calculating resonance states. Standard DFT is incapable of describing such states as they are not the ground state. The combination will, due to the high efficiency of DFT, allow for the calculation of resonance states in realistic systems and at larger scale than what is otherwise possible.

Optical Excitations of Chlorophyll a and Chlorophyll b Monomers and Dimers: María Rosa Preciado-Rivas, Duncan John Mowbray, Ask Hjorth Larsen, Bruce Forbes Milne
Journal Of Chemical Theory And Computation (submitted), (2017)
The atomic simulation environment—a Python library for working with atoms: Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, Ivano E Castelli, Rune Christensen, Marcin Dułak, Jesper Friis, Michael N Groves, Bjørk Hammer, Cory Hargus, Eric D Hermes, Paul C Jennings, Peter Bjerre Jensen, James Kermode, John R Kitchin, Esben Leonhard Kolsbjerg, Joseph Kubal, Kristen Kaasbjerg, Steen Lysgaard, Jón Bergmann Maronsson, Tristan Maxson, Thomas Olsen, Lars Pastewka, Andrew Peterson, Carsten Rostgaard, Jakob Schiøtz, Ole Schütt, Mikkel Strange, Kristian S Thygesen, Tejs Vegge, Lasse Vilhelmsen, Michael Walter, Zhenhua Zeng, Karsten W Jacobsen
Journal Of Physics-Condensed Matter 29, 273002 (2017)