Exact separation of radial and angular correlation energies in two-electron atoms

Anjana R. Kammath,Raghunathan Ramakrishnan

Chemical Physics Letters（2019）

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摘要

•Analytic expressions for angular kinetic energy matrix elements for Hylleraas formalism.•We report angular correlation energies for the ground and excited states.•Trends are reported with varying atomic number.

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关键词

Schroedinger equation,Hylleraas,Correlation energy,Variational principle

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