Journal article
Interpolating Hamiltonians in chemical compound space
Abstract
We analyze the Hamiltonian‐interpolating schemes in chemical compound space. We show that if one allows for system‐dependent information there are trivial solutions to this problem that allow to linearly interpolate between any two given iso‐electronic Hamiltonians. If, on the other hand, one do not use any information about the system's Hamiltonians, we prove that there are no system‐independent multiplicative interpolating procedures that …
Authors
Miranda‐Quintana RA; Ayers PW
Journal
International Journal of Quantum Chemistry, Vol. 117, No. 14,
Publisher
Wiley
Publication Date
July 18, 2017
DOI
10.1002/qua.25384
ISSN
0020-7608