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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… Expand

2015

2015

Abstract “Kramers pairs symmetry breaking” is evaluated at the 2-component (2c) Kramers unrestricted and/or general complex… Expand

2008

2008

We report the results for the ground state energies and wave functions obtained by projecting spatially unrestricted Hartree-Fock… Expand

2005

2005

Poly[2-methoxy-5-(2’-ethyl-hexyloxy)-1,4-phenylene-vinylene] (MEH-PPV) adopts a preferential orientation on indium tin oxide… Expand

2005

2005

We present estimates of the exact correlation energies for 56 small molecules whose experimental atomization energies are known… Expand

Highly Cited

2001

Highly Cited

2001

Abstract We describe the implementation of analytical Hartree–Fock gradients for periodic systems in the code CRYSTAL… Expand

1999

1999

Abstract:We study the quantum phase transition between a band (“ionic”) insulator and a Mott-Hubbard insulator, realized at a… Expand

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… Expand

1978

1978

Photoelectron spectroscopy and molecular orbital calculations of the Extended Hückel, MINDO/3 and STO-3G Hartree-Fock type have… Expand

1973

1973

Abstract Curve crossing in a simple two-electron two-orbital model is considered. It is shown that the spin density wave (SDW… Expand