Assignment and simplified Hamiltonian for molecular vibrations obtained by an improved diabatic correlation method

Demixing and Cleaning of Wave Functions by Projection, Application to the Assignment of Molecular Vibrations

“…Similar connections also exist with other versions of the assignment by correlation, for example with the assignment by an analysis of the level velocity under parameter variations, , or with the dressed basis method presented in ref , or with the correlation technique of ref where the variation of strength parameters also of important interactions and of anharmonicity parameters is allowed in addition. At first these connections might seem surprising.…”

Eigenstates of Thiophosgene Near the Dissociation Threshold: Deviations From Ergodicity

“…On the other hand, existence of localized eigenstates at the reaction threshold would suggest strong deviations from the RRKM regime. Consequently, there have been many studies [12][13][14][15][16][17][18][19][20] aiming to characterize the nature of highly excited eigenstates in different systems. Recent reviews [21,22] highlight the relationship between eigenstate assignments based on classical phase space structures and deviations from the RRKM regime.…”

Resonance-induced spectral tuning

“…The use of the diabatic correlation assignments here and in Ref. [1] follows use of similar or related techniques [2][3][4][5][6][7][8][9][10][11][12] to assign a variety of spectral systems other than the isomerization model. Here, we put the method to a more stringent test than in Ref.…”