Monotonicity of the electronic contribution to the Born-Oppenheimer energy
- 28 September 1978
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 11 (18) , L537-L542
- https://doi.org/10.1088/0022-3700/11/18/003
Abstract
Let E(R) denote the ground-state energy of a single electron and two fixed nuclei of charges zA and zB a distance R apart. Let e(R)=E(R)-zAzBR-1 be the electronic contribution. The authors prove that 'e(R) increases as R does' in two different ways: using correlation inequalities and using the theory of log concave functions. Various extensions are described.Keywords
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