X-Nico

unusual facts about Hartree–Fock



Barry Simon

Following his doctoral studies, Simon took professorship at Princeton for many years, often working with colleague Elliott H. Lieb on the Thomas-Fermi Theory and Hartree-Fock Theory of atoms in addition to phase transitions and mentoring many of the same students as Lieb.

DIIS

DIIS was developed by Peter Pulay in the field of computational quantum chemistry with the intent to accelerate and stabilize the convergence of the Hartree–Fock self-consistent field method.

Dirk Fock

Dirk Fock (born 19 June 1858 in Wijk bij Duurstede – died 17 October 1941 in The Hague) was a Dutch politician, Governor of Suriname (1908–1911), President of the House of Representatives of the Netherlands (1917–1921) and Governor-General of the Dutch East Indies (1921–1926).

Douglas Hartree

In the summer of 1946 Hartree made his second trip to ENIAC as an evaluation of its applicability to a broad range of science, when he became the first civilian to program it.

Gerard von Brucken Fock

Gerard von Brucken Fock (also known as Geert) was born as Gerardus Hubertus Galenus Fock in the Ter Hooge castle, Koudekerke, in the outskirts of Middelburg where he spent the summers of his early childhood.

Hartree–Fock method

The first is a sum of kinetic energy operators for each electron, the internuclear repulsion energy, and a sum of nuclear-electronic Coulombic attraction terms.

Plancherel theorem for spherical functions

hyperbolic space, these expansions were known from prior results of Mehler, Weyl and Fock.

Restricted open-shell Hartree–Fock

Where F is the so-called Fock matrix (which is a function of C), C is a matrix of coefficients, S is the overlap matrix of the basis functions, and \epsilon is the (diagonal, by convention) matrix of orbital energies.


see also