Category: Computer Science

Blog Entry © Sunday, November 17, 2024, by James Pate Williams, Jr. Three Methods of Solving the Exterior Ballistics Problem for the Fast Battleship USS Iowa (BB-61) 16-Inch/50 Caliber Rifles

Blog Entry Sunday 11 17 2024Download

Blog Entry © Wednesday, November 6, 2024, by James Pate Williams, Jr. Particle in a Finite Spherical Three-Dimensional Potential Well

The Bessel functions are from A Numerical Library in C for Scientists and Engineers (c) 1995 by H. T. Lau, PhD.

Spherical Finite Potential WellDownload

Blog Entry © Friday, November 1, 2024, by James Pate Williams, Jr. Calculation of the Overlap Matrix for the Water Molecule (H2O) Using a Contracted Set of Gaussian Orbitals

Reference: https://content.wolfram.com/sites/19/2012/02/Ho.pdf

I reproduced most of the computations in the MATHMATICA reference. The water molecule is a planar molecule that lies in the YZ-plane.

Gaussian Overlap Integral CPP Source CodeDownload

Blog Entry © Tuesday, October 29, 2024, by James Pate Williams, Jr. Second Order Quantum Mechanical Perturbation Calculation Part II

Second Order Perturbation Example CPP Source CodeDownload

Blog Entry © Tuesday, October 29, 2024, by James Pate Williams, Jr. Second Order Quantum Mechanical Perturbation Calculation Part I

Second Order Perturbation ExampleDownload

Blog Entry (c) Monday, October 28, 2024, by James Pate Williams, Jr. Two Methods of Computing the Gaussian Type Orbital 1s Integrals (Corrected Version)

Blog Entry Monday October 24 2024Download
HFIntegrals1s CPP Source CodeDownload

Blog Entry (c) Saturday, October 26, 2024, by James Pate Williams, Jr. Interpolation by Polynomials and Cramer’s Rule Calculations of Matrix Determinants and Inverses

Blog Entry Saturday October 26 2024Download
Interpolation CPP Source CodeDownload
CramersRule CPP Source CodeDownload