Comment on ``Boson-realization model for the vibrational spectra of tetrahedral molecules''
R. Lemus, F. Perez-Bernal, A. Frank, R. Bijker, J. M. Arias
Abstract
An algebraic model in terms of a local harmonic boson realization was recently proposed to study molecular vibrational spectra [Zhong-Qi Ma et al., Phys. Rev. A 53, 2173 (1996)]. Because of the local nature of the bosons the model has to deal with spurious degrees of freedom. An approach to eliminate the latter from both the Hamiltonian and the basis was suggested. We show that this procedure does not remove all spurious components from the Hamiltonian and leads to a restricted set of interactions. We then propose a scheme in which the physical Hamiltonian can be systematically constructed up to any order without the need of imposing conditions on its matrix elements. In addition, we show that this scheme corresponds to the harmonic limit of a symmetry adapted algebraic approach based on U(2) algebras.
Create a lesson
Related papers
Molecular Geometry Understanding Has Unintendedly Emerged in Frontier Large Language Models
Gregorii A. Semakin, Timofey V. Losev, Ilya V. Prolomov et al.
Truncated automatic sparse differentiation for machine learning interatomic potentials
Marcel F. Langer, Adrian Hill, Michele Ceriotti
Collective Ion Dynamics from Finite-Volume Fluctuations in Model Explicit-Solvent Electrolytes
Jeongmin Kim
FOSY: Segmental Backbone Assignment in Intrinsically Disordered Proteins
Dmitry M. Lesovoy, Tatiana Agback, Panagiota S. Georgoulia et al.
Efficient tensorized evaluation of permutation invariant polynomials for representing potential energy surfaces
Junhong Li, Kaisheng Song, Hua Guo et al.
DFT GGA based datasets for H2O potential energy surfaces, permanent moment and polarizability tensors
Anoop Ajaya Kumar Nair, Elvar Örn Jónsson