Lowest excited configuration of harmonium

The harmonium model has long been regarded as an exactly solvable laboratory bench for quantum chemistry [W. Heisenberg, Z. Phys. 38, 411 (1926)]. For studying correlation energy, only the ground state of the system has received consideration heretofore. This is a spin singlet state. In this work we...

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Detalles Bibliográficos
Autores: Benavides-Riveros, C., Gracia-Bondía, J.M., Várilly, J.C.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2012
País:España
Institución:Universidad de Zaragoza
Repositorio:Zaguán. Repositorio Digital de la Universidad de Zaragoza
OAI Identifier:oai:zaguan.unizar.es:60839
Acceso en línea:http://zaguan.unizar.es/record/60839
Access Level:acceso abierto
Descripción
Sumario:The harmonium model has long been regarded as an exactly solvable laboratory bench for quantum chemistry [W. Heisenberg, Z. Phys. 38, 411 (1926)]. For studying correlation energy, only the ground state of the system has received consideration heretofore. This is a spin singlet state. In this work we exhaustively study the lowest excited (spin triplet) harmonium state, with the main purpose of revisiting the relation between entanglement measures and correlation energy for this quite different species. The task is made easier by working with Wigner quasiprobabilities on phase space.