화학공학소재연구정보센터
Chemical Physics Letters, Vol.676, 169-173, 2017
Exactly solvable Schrodinger equation with double-well potential for hydrogen bond
We construct a double-well potential for which the SchrOdinger equation can be exactly solved via reducing to the confluent Heun's one. Thus the wave function is expressed via the confluent Heun's function. The latter is tabulated in Maple so that the obtained solution is easily treated. The potential is infinite at the boundaries of the final interval that makes it to be highly suitable for modeling hydrogen bonds (both ordinary and low-barrier ones). We exemplify theoretical results by detailed treating the hydrogen bond in KHCO3 and show their good agreement with literature experimental data. (C) 2017 Elsevier B.V. All rights reserved.