INVESTIGADORES
ALCOBA Diego Ricardo
congresos y reuniones científicas
Título:
Reduced Density Matrices' Purification Procedures: Imposing N- and S-Representability Conditions for Pure Spin States
Autor/es:
C. VALDEMORO; L.M. TEL; E. PEREZ-ROMERO; D.R. ALCOBA
Lugar:
Santiago de Compostela
Reunión:
Congreso; Electronic Structure: Principles and Applications (ESPA2005); 2005
Institución organizadora:
Universidad de Santiago de Compostela
Resumen:
The second order Reduced Density Matrix (2-RDM) can be obtained from the iterative solution of the Contracted Schr¨odinger Equation. At each step of the iterative process a new approximate matrix is obtained. The purification of the RDM is the set of algorithms devised to enforce the fulfillement of the known N- and S-represntability conditions.
