Bounds to expectation values and exponentially decreasing upper bounds to the one-electron density of atoms
- 14 January 1978
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 11 (1) , 17-24
- https://doi.org/10.1088/0022-3700/11/1/008
Abstract
Bounds to expectation values of various operators for atomic wavefunctions are derived. For expectation values like ( psi mod e2 alpha r psi ) they are obtained by means of differential inequalities. Furthermore, a general upper bound to the spherically averaged atomic one-electron density is given. Two special cases are considered: a simple one depending only on the kinetic energy, and an exponentially decreasing bound, in which the estimates for expectation values mentioned above are utilised.Keywords
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