Topological aspects of cavity-induced degeneracies in polyatomic molecules

被引:12
作者
Badanko, Peter [1 ]
Umarov, Otabek [1 ]
Fabri, Csaba [2 ,3 ]
Halasz, Gabor J. [4 ]
Vibok, Agnes [1 ,5 ]
机构
[1] Univ Debrecen, Dept Theoret Phys, POB 400, H-4002 Debrecen, Hungary
[2] Eotvos Lorand Univ, Inst Chem, Lab Mol Struct & Dynam, Budapest, Hungary
[3] MTA ELTE Complex Chem Syst Res Grp, Budapest, Hungary
[4] Univ Debrecen, Dept Informat Technol, Debrecen, Hungary
[5] ELI HU Nonprofit Ltd, ELI Alps, Szeged, Hungary
关键词
Born-Oppenheimer approximation; geometric phase effect; nonadiabatic coupling; cavity-induced conical intersections; polaritons; CONICAL INTERSECTIONS; BORN-OPPENHEIMER; DYNAMICS; PHASE; PHOTODISSOCIATION; DISSOCIATION; FORMALDEHYDE;
D O I
10.1002/qua.26750
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Conical intersections are degeneracies between multidimensional potential energy surfaces of molecular systems. It is well known that, besides these phenomena significantly modify the spectroscopic and dynamical properties of molecules, their presence in a molecular system has noticeable topological implications, as well. Such a consequence is the appearance of the topological or geometric phase. Conical intersections not only occur in nature but they can also be created by light. This can either be classical laser light or quantum light in an optical cavity. As a showcase example, by placing the formaldehyde (H2CO) molecule into a cavity, the topological properties (e.g., geometric or Berry phase) of the emerging light-induced conical intersection have been investigated for different cavity parameters and geometrical arrangements.
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页数:8
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