Výsledky vyhledávání - "Jensen , Frank"

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Calculating the energy profile of an enzymatic reaction on a quantum computer

Autor: Ettenhuber, Patrick, Hansen, Mads Bøttger, Shaik, Irfansha, Rasmussen, Stig Elkjær, Poier, Pier Paolo, Madsen, Niels Kristian, Majland, Marco, Jensen, Frank, Olsen, Lars, Zinner, Nikolaj Thomas

Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases exponentially with system size. As fully fault-tolerant algorithms an

Externí odkaz: http://arxiv.org/abs/2408.11091

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Kniha

Introduction to computational chemistry / Frank Jensen. [elektronicky zdroj]

Autor: Jensen, Frank, author

Externí odkaz: Kolekce e-knih KNAV

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Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a Surface

Autor: Kranabetter, Lorenz, Kristensen, Henrik H., Ghazaryan, Areg, Schouder, Constant A., Chatterley, Adam S., Janssen, Paul, Jensen, Frank, Zillich, Robert E., Lemeshko, Mikhail, Stapelfeldt, Henrik

Publikováno v: Phys. Rev. Lett. 131, 053201 (2023)

We demonstrate that a sodium dimer, Na$_{2}$($1^3\Sigma_{u}^+$), residing on the surface of a helium nanodroplet, can be set into rotation by a nonresonant 1.0 ps infrared laser pulse. The time-dependent degree of alignment measured, exhibits a perio

Externí odkaz: http://arxiv.org/abs/2308.15247

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Akademický článek

Cluster perturbation theory. X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order.

Autor: Hillers-Bendtsen, Andreas Erbs, Kjeldal, Frederik Ørsted, Høyer, Nicolai Machholdt, Johansen, Magnus Bukhave, Juncker von Buchwald, Theo, Iuel Lunøe Dünweber, Phillip Gustav, Olsen, Lars Henrik, Jensen, Frank, Olsen, Jeppe, Jørgensen, Poul, Mikkelsen, Kurt V.

Publikováno v: Journal of Chemical Physics; 11/14/2024, Vol. 161 Issue 18, p1-20, 20p

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Laser-induced Coulomb Explosion Imaging of Alkali Dimers on Helium Nanodroplets

Autor: Kristensen, Henrik H., Kranabetter, Lorenz, Schouder, Constant A., Arlt, Jacqueline, Jensen, Frank, Stapelfeldt, Henrik

Alkali dimers, $\mathrm{Ak}_2$, residing on the surface of He nanodroplets are doubly ionized due to multiphoton absorption from an intense, 50-fs laser pulse leading to fragmentation into a pair of alkali cations. Based on the measured kinetic energ

Externí odkaz: http://arxiv.org/abs/2212.03715

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