Quantum simulation of systems with nodal surfaces

A modification of the diffusion Monte Carlo algorithm that enables the direct simulation of wave functions containing nodal surfaces is described. The use of orthogonality constraints during the simulation enables the properties of excited state systems to be calculated. For Fermi systems, spin vari...

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Veröffentlicht in:	Molecular physics 1986-08, Vol.58 (6), p.1113-1123
Hauptverfasser:	Coker, D.F., Watts, R.O.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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