Parallelization of quantum mechanical in
β
S. Kindermann; E. Michel; P. Otto
π
Article
π
1992
π
John Wiley and Sons
π
English
β 747 KB
In ab initio Hartree-Fock crystal orbital calculations of chemical and physical properties of polymers, the huge number of two-electron integrals restricts the size of the elementary cell. Therefore, the question arises how the storage and computation resources of modern parallel supercomputers can