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Optimal system-specific coherent states for excited state calculations of quantum systems
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Optimal system-specific coherent states for excited state calculations of quantum systems

Chi-En Li, Ching-Teh LiChia-Chun Chou
Chemical Physics Letters, 卷.782, 139016
11/2021

摘要

Basis function Excited state calculation Supersummetric quantum mechanics System-specific coherent state Variational principle Physics and Astronomy (all) Physical and Theoretical Chemistry
Optimal discretized system-specific coherent states are developed as a set of basis functions to calculate the excited state energies and wave functions of a quantum system. The ground state of the system is employed as a fiducial function to generate system-specific coherent states. Discretizing the continuous label in the system-specific coherent state yields a set of basis functions distributed in phase space. Minimizing the deviation of the trial wave function from being a true eigenstate of the Hamiltonian, we obtain the optimal distribution of discretized system-specific coherent states in phase space for excited state calculations.

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