When we use Modified Configuration Interaction method(MCI) to calculate the correlation energy of double electron systems, for obtaining the higher precision, we always need huge calculations. In order to handle this...When we use Modified Configuration Interaction method(MCI) to calculate the correlation energy of double electron systems, for obtaining the higher precision, we always need huge calculations. In order to handle this problem, which will cost much CPU time and memory room if only using a single computer to do it, we now adopt the parallel multisection recurrence algorithm. Thus we can use several CPUs to get the ground state energy of a Helium atom at the same time.展开更多
文摘When we use Modified Configuration Interaction method(MCI) to calculate the correlation energy of double electron systems, for obtaining the higher precision, we always need huge calculations. In order to handle this problem, which will cost much CPU time and memory room if only using a single computer to do it, we now adopt the parallel multisection recurrence algorithm. Thus we can use several CPUs to get the ground state energy of a Helium atom at the same time.
