Makoto Yamashita Employing the variational approach having the two-body reduced density matrix (RDM) as variables to compute the ground state energies of atomic-molecular systems has been a long time dream in electronic structure theory in chemical physics/physical chemistry. Realization of the RDM approach has benefited greatly from recent developments in semidefinite programming (SDP). We present the actual … Read more
A parallel computational method SDPARA-C is presented for SDPs (semidefinite programs). It combines two methods SDPARA and SDPA-C proposed by the authors who developed a software package SDPA. SDPARA is a parallel implementation of SDPA and it features parallel computation of the elements of the Schur complement equation system and a parallel Cholesky factorization of … Read more
Abstract: The SDPA (SemiDefinite Programming Algorithm) is known as efficient computer software based on primal-dual interior-point method for solving SDPs (Semidefinite Programs). In many applications, however, some SDPs become larger and larger, too large for the SDPA to solve on a single processor. In execution of the SDPA applied to large scale SDPs, the computation … Read more
The SDPA (SemiDefinite Programming Algorithm) is a software package for solving general SDPs(SemiDefinite Programs). It is written in C++ with the help of {\it LAPACK} for numerical linear algebra for dense matrix computation. The purpose of this paper is to present a brief description of the latest version of the SDPA and its high performance … Read more