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Unrestricted Hartree–Fock

Known as: Pople-Nesbet equations, Unrestricted Hartree-Fock 
Unrestricted Hartree–Fock (UHF) theory is the most common molecular orbital method for open shell molecules where the number of electrons of each… 
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Papers overview

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2016
2016
A simple proof of Noether’s first theorem involves the promotion of a constant symmetry parameter ǫ to an arbitrary function of… 
2008
2008
We report the results for the ground state energies and wave functions obtained by projecting spatially unrestricted Hartree-Fock… 
2005
2005
We present estimates of the exact correlation energies for 56 small molecules whose experimental atomization energies are known… 
2005
2005
Poly[2-methoxy-5-(2’-ethyl-hexyloxy)-1,4-phenylene-vinylene] (MEH-PPV) adopts a preferential orientation on indium tin oxide… 
Highly Cited
2001
Highly Cited
1997
Highly Cited
1997
For the molecules Be2, F2, and P2 of Table I, the unrestricted Hartree-Fock solution breaks the singlet spin symmetry, even… 
1993
1993
The general Hartree–Fock (GHF) method is a quantum mechanical method for electronic structure calculations that uses a single… 
1987
1987
We examine the stability of the restricted Hartree-Fock (RHF) wave function for F2 in the vicinity of the equilibrium… 
Highly Cited
1986
1978
1978
Photoelectron spectroscopy and molecular orbital calculations of the Extended Hückel, MINDO/3 and STO-3G Hartree-Fock type have…