Variational approach for the electronic structure calculation on the secondorder reduced density matrices and the $N$representability problem
Abstract
The reduceddensitymatrix method is an promising candidate for the next generation electronic structure calculation method; it is equivalent to solve the Schrödinger equation for the ground state. The number of variables is the same as a four electron system and constant regardless of the electrons in the system. Thus many researchers have been dreaming of a much simpler method for quantum mechanics. In this chapter, we give a overview of the reduceddensity matrix method; details of the theories, methods, history, and some new computational results. Typically, the results are comparable to the CCSD(T) which is a sophisticated traditional approach in quantum chemistry.
 Publication:

arXiv eprints
 Pub Date:
 October 2010
 arXiv:
 arXiv:1010.4095
 Bibcode:
 2010arXiv1010.4095N
 Keywords:

 Condensed Matter  Strongly Correlated Electrons
 EPrint:
 31 pages, 4 figures