Distribution of r.p in Atomic Systems

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Title

Distribution of r.p in Atomic Systems

Content partner

University of Canterbury Library

Collection

UC Research Repository

Description

We present formulas for computing the probability distribution of the posmom s = r • p in atoms, when the electronic wave function is expanded in a single particle Gaussian basis. We study the posmom density, S(s), for the electrons in the ground states of 36 lightest atoms (H-Kr) and construct an empirical model for the contribution of each atomic orbital to the total S(s). The posmom density provides unique insight into types of trajectories electrons may follow, complementing existing spec...

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Format

Research paper

Research format

Journal article

Date created

2010

Creator

Bernard YA / Gill PMW / Crittenden, Deborah

URL

https://hdl.handle.net/10092/105263

Related subjects

position-momentum dot product / posmom / hyperbolic autocorrelation / orbital posmom density / Atomic, Molecular, Nuclear, Particle and Plasma Physics / Physical Chemistry (incl. Structural) / Theoretical and Computational Chemistry / Chemical sciences / Theoretical and computational chemistry / Theoretical quantum chemistry / Computational chemistry

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You can learn more about the rights status of this item at: http://hdl.handle.net/10092/17651

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