Alexander Yu Sokolov

We don’t have enough information about this author to calculate their statistics. If you think this is an error let us know.
Learn More
A new approach to density cumulant functional theory is developed that derives density cumulant N-representability conditions from an approximate Fock space unitary transformation. We present explicit equations for the third- and fourth-order two-particle cumulant N-representability, as well as the second-order contributions that depend on the connected(More)
The planarity and 10 π-electron aromaticity of the free cyclooctatetraene dianion (C 8 H 8 2− , COT 2−) have been questioned recently on the basis of conflicting density functional and second-order Møller−Plesset perturbation computations. Rigorous coupled-cluster methods are employed here to establish the structure and properties of COT 2−. Like many(More)
Density cumulant functional theory (DCFT) is one of a number of nascent electron correlation methods that are derived from reduced density matrices and cumulants thereof, instead of the wavefunction. Deriving properties from the density cumulant naturally yields methods that are size extensive and size consistent. In this work, we derive expressions for the(More)
  • 1