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• W2313748435 abstract "We find the unitary operator for diagonalizing the Hamiltonian of a triatomic linear molecule. The unitary operator is expressed in a coordinate representation that brings convenience for deriving the density matrix ensuremath{rho}(${mathrm{x}}_{1}$,${mathrm{x}}_{2}$,${mathrm{x}}_{3}$;${mathrm{x}}_{1}^{ensuremath{'}}$,${mathrm{x}}_{2}^{ensuremath{'}}$,${mathrm{x}}_{3}^{ensuremath{'}}$,ensuremath{beta}). The unitary transformation approach is simple because the derivation can be reduced to the calculation of two independent harmonic-oscillator density matrices and one free-particle density matrix. The average of the potential energy and the kinetic of the molecule is calculated by using the density matrix." @default.
• W2313748435 created "2016-06-24" @default.
• W2313748435 creator A5050891806 @default.
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• W2313748435 date "1994-11-01" @default.
• W2313748435 modified "2023-10-12" @default.
• W2313748435 title "Density matrix for a triatomic linear molecule model" @default.
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• W2313748435 doi "https://doi.org/10.1103/physreva.50.3754" @default.
• W2313748435 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9911341" @default.
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