Numerical library

MADNESS provides a high-level environment for the solution of integral and differential equations in many dimensions using adaptive, fast methods with guaranteed precision based on multi-resolution analysis and novel separated representations.

Useful examples can be found in the src/examples directory, where the use of the numerical library can be practiced by example.

• sininteg.cc: Create a function and integrate

• hatom_energy.cc: Compute the energy of the hydrogen atom

• heat.cc: apply the Greens function to the heat equation

• 3dharmonic.cc: solve the 3D harmonic oscillator

• h2.cc: solve the Hartree-Fock equations for the H2 molecule

• nonlinschro.cc: use the KAIN solver for accelerating the solution of a system of non-linear equations

• hedft.cc: use density functional theory