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quant-ph2021
On computing bound states of the Dirac and Schrödinger Equations
Gregory Beylkin, Joel Anderson, Robert J. Harrison
We cast the quantum chemistry problem of computing bound states as that of solving a set of auxiliary eigenvalue problems for a family of parameterized compact integral operators.…
math.NA2021★ 6 cited
A fast algorithm for computing the Boys function
Gregory Beylkin, Sandeep Sharma
We present a new fast algorithm for computing the Boys function using a nonlinear approximation of the integrand via exponentials. The resulting algorithms evaluate the Boys functi…