Two-center-multipole expansion method: application to macromolecular systems
Ilia A. Solov'yov, Alexander V. Yakubovich, Andrey V. Solov'yov, Walter Greiner
Physical Review E
75
051912-(1-9)
2007
abstract
We propose a theoretical method for the calculation of the interaction energy between macromolecular systems atlarge distances. The method provides a linear scaling of the computing time with the system size and is considered as an alternative to the well-known fast multipole method. Its efficiency, accuracy, and applicability to macromolecular systems is analyzed and discussed in detail.