Article ID Journal Published Year Pages File Type
5383563 Chemical Physics Letters 2012 4 Pages PDF
Abstract
► Study of error in diffusion Monte Carlo with the fixed-node approximation. ► Nodal structure does not depend on charge density for a single determinant w-f. ► Increasing charge density near nodal errors causes increasing errors in correlation energy.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Impact of electron density on the fixed-node errors in Quantum Monte Carlo of atomic systems
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