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

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2017

2017

- Jens Bartel
- 2017

We present a semiclassical approach, the partial fi resummation method, to calculate nuclear ground state properties in a… (More)

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2013

2013

- Rebecca Sure, Stefan Grimme
- Journal of Computational Chemistry
- 2013

A quantum chemical method based on a Hartree-Fock calculation with a small Gaussian AO basis set is presented. Its main area of… (More)

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2013

2013

This paper deals with the solution of the spherically symmetric time-dependent Hartree-Fock approximation applied in the case of… (More)

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2007

2007

- Terutaka Yoshizawa, Masahiko Hada
- Journal of Computational Chemistry
- 2007

The time-dependent generalized unrestricted Hartree-Fock (TDGUHF) method combined with a two-component quasi-relativistic… (More)

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Highly Cited

2004

Highly Cited

2004

For neutral atoms and molecules and positive ions and radicals, we prove the existence of solutions of the Hartree-Fock equations… (More)

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2001

2001

- K. Doll
- 2001

We describe the implementation of analytical Hartree-Fock gradients for periodic systems in the code CRYSTAL, emphasizing the… (More)

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2000

2000

- Jan Philip Solovej
- 2000

We prove the ionization conjecture within the Hartree-Fock theory of atoms. More precisely, we prove that, if the nuclear charge… (More)

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2000

2000

This paper presents the finite difference Hartree-Fock method for diatomic molecules together with several recent examples of its… (More)

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1997

1997

We present the first theoretical treatment that accounts in detail for a recent observation of overlapping Bose-Einstein… (More)

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1993

1993

- Jan Philip Solovej
- 1993

The familiar unrestricted Hartree-Fock variational principle is generalized to include quasi-free states. As we show, these are… (More)

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