3 papers
physics.chem-ph2026
Nonlocal van der Waals density functional made faster
Dimitri N. Laikov
A simplification of the VV10 van der Waals density functional [J. Chem. Phys. 133, 244103 (2010)] is made by an approximation of the integrand of the six-dimentional integral in te…
physics.chem-ph2025
Global approximations to the error function of real argument for vectorized computation
Dimitri N. Laikov
The error function of real argument can be approximated to a given uniform relative accuracy by a single closed-form expression for the whole variable range either in terms of addi…
math.NA2025
Global approximation to the Boys functions for vectorized computation
Dimitri N. Laikov
A fast approximation to the Boys functions (related to the lower incomplete gamma function of half-integer parameter) by a single closed-form analytical expression for all argument…