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2017

2017

The past several years have seen renewed interest in the use of symmetry-projected Hartree-Fock for the description of strong… Expand

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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

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2011

2011

We investigated the electronic and magnetic structure of Sr 3- x Ca x Ru 2 O 7 (0 ≤ x ≤3) on the basis of the double-layered… Expand

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2010

2010

Interaction and correlation effects in quantum dots play a fundamental role in defining both their equilibrium and transport… Expand

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2008

2008

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

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2007

2007

Ground state energies are obtained using the unrestricted Hartree–Fock (HF) method for up to four interacting electrons… Expand

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2001

2001

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

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1999

1999

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

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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

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1993

1993

The general Hartree–Fock (GHF) method is a quantum mechanical method for electronic structure calculations that uses a single… Expand

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