The hartree (symbol: Eh), also known as the Hartree energy, is the unit of energy in the atomic units system, named after the British physicist Douglas...

In computational physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy...

Douglas Rayner Hartree FRS (27 March 1897 – 12 February 1958) was an English mathematician and physicist most famous for the development of numerical...

after the publication of the Schrödinger equation, Hartree formulated what are now known as the Hartree equations for atoms, using the concept of self-consistency...

spectroscopy. They were originally suggested and named by the physicist Douglas Hartree. Atomic units are often abbreviated "a.u." or "au", not to be confused...

Hartree is the unit of energy in the system of atomic units. Hartree may also refer to: Appleton–Hartree equation, a mathematical expression that describes...

George Frederick Joffre Hartree (30 November 1914 – 27 October 1988), known as Charles Hawtrey, was an English actor, comedian, singer, pianist and theatre...

of many simpler electron functions with the dominant function being the Hartree-Fock function. Each of these simple functions are then approximated using...

The Appleton–Hartree equation, sometimes also referred to as the Appleton–Lassen equation is a mathematical expression that describes the refractive index...

computational chemistry, post–Hartree–Fock (post-HF) methods are the set of methods developed to improve on the Hartree–Fock (HF), or self-consistent...

the United Kingdom is given by Smith and Sutcliffe. The first ab initio Hartree–Fock method calculations on diatomic molecules were performed in 1956 at...

Restricted open-shell Hartree–Fock (ROHF) is a variant of Hartree–Fock method for open shell molecules. It uses doubly occupied molecular orbitals as...

Multi-configuration time-dependent Hartree (MCTDH) is a general algorithm to solve the time-dependent Schrödinger equation for multidimensional dynamical...

The Hartree Centre is a high performance computing, data analytics and artificial intelligence (AI) research facility focused on industry-led challenges...

calculate the shielding constant using the Hartree-Fock method. Douglas Hartree defined the effective Z of a Hartree–Fock orbital to be: Z e f f = ⟨ r ⟩ H...

method. This approach is the conceptual basis of the Hartree–Fock method and further post-Hartree–Fock methods. The Thomas–Fermi model was developed independently...

Unrestricted Hartree–Fock (UHF) theory is the most common molecular orbital method for open shell molecules where the number of electrons of each spin...

Cape Hartree (60°48′S 44°44′W / 60.800°S 44.733°W / -60.800; -44.733) is a cape which forms the southwestern tip of Mossman Peninsula on the south...

generate qualitatively correct reference states of molecules in cases where Hartree–Fock and density functional theory are not adequate (e.g., for molecular...

Hartry H. Field (born November 30, 1946) is an American philosopher. He is Silver Professor of Philosophy at New York University; he is a notable contributor...

Eva Hartree (née Rayner; 24 December 1873 – 9 September 1947) was the first woman to be Mayor of Cambridge, in 1924–25. Hartree was born Eva Rayner in...

functional theory (DFT) that incorporate a portion of exact exchange from Hartree–Fock theory with the rest of the exchange–correlation energy from other...

implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional...

symmetry Fock–Schwinger gauge Hartree–Fock method Post–Hartree–Fock Restricted open-shell Hartree–Fock Unrestricted Hartree–Fock Klein–Gordon–Fock equation...

This expression is used in the Hartree method as an ansatz for the many-particle wave function and is known as a Hartree product. However, it is not satisfactory...

assistant in 1936 to run the differential analyzer in Bush's lab. Douglas Hartree of Manchester University brought Bush's design to England, where he constructed...

Hartree–Fock method is also used in atomic physics and condensed matter physics as Density Functional Theory, DFT. The process of solving the Hartree–Fock...

the contributions of the n atomic orbitals to the molecular orbital. The Hartree–Fock method is used to obtain the coefficients of the expansion. The orbitals...

functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential...

work as the "ASME Standard: Operation and Flow Process Charts." Douglas Hartree in 1949 explained that Herman Goldstine and John von Neumann had developed...