Simulating the control of molecular reactions via modulated light fields: from gas phase to solution

Thallmair, Sebastian; Keefer, Daniel; Rott, Florian und Vivie-Riedle, Regina de (2017): Simulating the control of molecular reactions via modulated light fields: from gas phase to solution. In: Journal of Physics B-Atomic Molecular and Optical Physics, Bd. 50, Nr. 8, 82001

Abstract

Over the past few years quantum control has proven to be very successful in steering molecular processes. By combining theory with experiment, even highly complex control aims were realized in the gas phase. In this topical review, we illustrate the past achievements on several examples in the molecular context. The next step for the quantum control of chemical processes is to translate the fruitful interplay between theory and experiment to the condensed phase and thus to the regime where chemical synthesis can be supported. On the theory side, increased efforts to include solvent effects in quantum control simulations were made recently. We discuss two major concepts, namely an implicit description of the environment via the density matrix algorithm and an explicit inclusion of solvent molecules. By application to chemical reactions, both concepts conclude that despite environmental perturbations leading to more complex control tasks, efficient quantum control in the condensed phase is still feasible.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 0953-4075
• Sprache: Englisch