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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…