Some applications of excited-state-excited-state transition densities
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چکیده
منابع مشابه
Microscopic Parameters in the Excited State of Toluene and Some of Its Haloderavatives
The Ultraviolet-visible (UV) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. The electric dipole moments and polarizabilities in the molecular excited electronic states were determined. It was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...
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Wigner crystals (WCs) are electronic phases peculiar to low-density systems, particularly in the uniform electron gas. Since its introduction in the early twentieth century, this model has remained essential to many aspects of electronic structure theory and condensed-matter physics. Although the (lowest-energy) ground-state WC (GSWC) has been thoroughly studied, the properties of excited-state...
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In the last several years, the Casimir energy for a variety of 1+1-dimensional integrable models has been determined from the exact S-matrix. It is shown here how to modify the boundary conditions to project out the lowest-energy state, which enables one to find excited-state energies. This is done by calculating thermodynamic expectation values of operators which generate discrete symmetries. ...
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To overcome the limitations of the traditional state-averaging approaches in excited state calculations, where one solves and represents all states between the ground state and excited state of interest, we have investigated a number of new excited state algorithms. Building on the work of van der Vorst and Sleijpen [SIAM J. Matrix Anal. Appl. 17, 401 (1996)], we have implemented harmonic David...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 1975
ISSN: 0556-2791
DOI: 10.1103/physreva.11.1168