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Trygve Helgaker works in the area of molecular electronic-structure theory—in particular, on the development and application of methods for quantum-mechanical simulations of molecular systems. With the emergence of powerful computers and the development of sophisticated simulation models and techniques, quantum-chemical simulations have become an indispensable tool for modern chemical research. Such simulations can be performed either as a supplement to experimental work (e.g., for interpretation of experimental data) or as a replacement of experimental investigations (when these cannot be performed or are too expensive).
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Poul Jørgensen,Jeppe Olsen,Magnus Bukhave Johansen, Theo Juncker von Buchwald,Andreas Erbs Hillers-Bendtsen, Kurt V. Mikkelsen,Trygve Helgaker
Science Advancesno. 17 (2024)
MOLECULAR PHYSICSno. 5 (2024)
Physical chemistry chemical physics : PCCPno. 42 (2023): 28770-28783
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The Journal of chemical physicsno. 11 (2023): 114115
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