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Drawing information from the ground state G-particle-hole matrix to study electronic excited states |
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| Authors: | Diego R Alcoba Ofelia B O?a Carmela Valdemoro Luis M Tel Gustavo E Massaccesi |
| Institution: | 1. Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, 1428, Buenos Aires, Argentina 2. Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428, Buenos Aires, Argentina 3. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900, La Plata, Argentina 4. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 123, 28006, Madrid, Spain 5. Departamento de Química Física, Facultad de Ciencias, Universidad de Salamanca, 3708, Salamanca, Spain 6. Departamento de Ciencias Exactas, Ciclo Básico Común, Universidad de Buenos Aires, Ciudad Universitaria, 1428, Buenos Aires, Argentina |
| Abstract: | Very recently, we have shown the suitability to combine the G-particle-hole Hypervirial (GHV) equation method (Alcoba et?al. in Int J Quantum Chem 109:3178, 2009) with the Hermitian Operator (HO) method (Bouten et?al. in Nucl Phys A 202:127, 1973) for computing various energy differences of an electronic system spectrum (Valdemoro et?al. in J Math Chem 50:492, 2012). The purpose of this paper is to extend our preliminary studies by applying the combined GHV-HO method to obtain the set of ground and low-lying excited states potential energy curves of several selected electronic systems. The calculations confirm the reliability of the method. |
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