منابع مشابه
Targeted excited state algorithms.
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...
متن کاملDigitally Excited Reconfigurable Linear Antenna Array Using Swarm Optimization Algorithms
This paper describes the synthesis of digitally excited pencil/flat top dual beams simultaneously in a linear antenna array constructed of isotropic elements. The objective is to generate a pencil/flat top beam pair using the excitations generated by the evolutionary algorithms. Both the beams share common variable discrete amplitude excitations and differ in variable discrete phase excitations...
متن کاملExcited-state Wigner crystals.
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...
متن کاملExcited-state thermodynamics
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. ...
متن کاملExcited State Aromaticity and Antiaromaticity
Ayub, R. 2017. Excited State Aromaticity and Antiaromaticity. Fundamental Studies and Applications. Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 1594. 61 pp. Uppsala: Acta Universitatis Upsaliensis. ISBN 978-91-513-0138-9. The central theme of this thesis is the ability to tune various molecular properties by controlling and utilizing aroma...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2007
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2768360