Jastrow correlation factor for atoms, molecules, and solids

By N. Drummond, M. Towler, R. Needs. 2004

267 citations recorded by the source corpus.

A form of Jastrow factor is introduced for use in quantum Monte Carlo simulations of finite and periodic systems. Test data are presented for atoms, molecules, and solids, including both all-electron and pseudopotential atoms. We demonstrate that our Jastrow factor is able to retrieve a large fraction of the correlation energy.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics

View Paper: https://www.semanticscholar.org/paper/8b0c308cf4b456342268b26a1b8c16f08c80f7f7

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Zeno Schätzle
2. Peter M. W. Gill
3. Frank No'e
4. Jan Hermann
5. Pierre‐François Loos
6. Hao Wu

In Condensed Matter Physics

1. Zeno Schätzle
2. Peter M. W. Gill
3. Frank No'e
4. Jan Hermann
5. Pierre‐François Loos

Citations in the corpus

• The uniform electron gas (2016, methodology): “They concluded that 3-jellium undergoes a transition from a ferromagnetic fluid to a bcc WC at rs = 106 1, confirming the early prediction of Ceperley and Alder.12 The discrepancy between the crystallization density found by Ortiz et al.120 and the one determined by Drummond et al.123 is unclear.a T”
• Deep-neural-network solution of the electronic Schrödinger equation (2019, methodology): “First, the HF wave function is multiplied by a nonnegative totally symmetric function eθ, with the so-called Jastrow factor J [Drummond et al., 2004].”