Hellmann–Feynman theorem
Teorema de Hellman-Feynman
- Date
- 1937-1939 · confidence low
- Place
- Princeton, New Jersey, United States
- Credited to
- Richard Feynman y Hans Hellmann
- Field
- Cosmos & Earth
What was discovered
Quantum mechanics theorem relating the derivative of a system's total energy with respect to a parameter to the expectation value of the derivative of the Hamiltonian with respect to that same parameter; formulated by Hans Hellmann and, independently, by Richard Feynman.
What it led to
- Standard tool in quantum chemistry and molecular physics
- Simplified calculation of interatomic forces in simulations
- Applications in ab initio molecular dynamics