We present a library for evaluating multicenter integrals overpolarization operators {of the|from the|in the|on the|with the|of your} {form|type|kind} $x^{m_x} y^{m_y} z^{m_z} r^{-k} C(r)$ {using|utilizing|making use of|employing|working with|applying} Cartesian Gaussian basis functions. $m_x, m_y, m_z \geq 0$, $k > 2$ are integers, {while|whilst|although|even though|when|though} the cutoff function, $C(r)=(1 – e^{-\alpha r^2})^q$, with $\alpha \in \mathbb{R}_{+}$ and {certain|particular|specific} integer values of $q$ {ensures|guarantees} the existence {of the|from the|in the|on the|with the|of your} integrals. The formulation {developed|created} by P. Schwerdtfeger and H. Silberbach [Phys. Rev. A 37, 2834 (1988)] is implemented in an {efficient|effective} and {stable|steady} way taking into account a {recent|current} {fix|repair} in {one of the|among the|one of many|one of several|among the list of|on the list of} equations. A {cheap|inexpensive|low-cost|low cost|affordable|low-priced} upper bound is presented that {allows|enables|permits|makes it possible for} negligible integrals {to be|to become} prescreened. The correctness {of the|from the|in the|on the|with the|of your} analytical integrals was verified by numerical integration. The library {provides|offers|gives|supplies|delivers} separate codes for serial CPU and parallel GPU architectures {and can|and may} be wrapped into a python module. 61881-19-4 uses 87600-71-3 manufacturer PMID:23614016
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