Translational and Rotational Symmetries in Integral Derivatives of Arbitrary Order

摘要

Based on the invariance under translations and rotations of quantum chemical one- and two-electron integrals, a method for obtaining a complete set of independent relations among integral derivatives of arbitrary order is presented. Explicit formulas for the dependent integral derivatives in terms of the remaining (independent) ones. The formulas are derived in a manner which imposes no restrictions on the nuclear positions. The special case of collinear nuclear centers is also examined.