Title of article
Convergence of variational calculations of the ground-state energy of HF dimer
Author/Authors
Volobuev، نويسنده , , Yuri and Necoechea، نويسنده , , William C and Truhlar، نويسنده , , Donald G، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2000
Pages
4
From page
471
To page
474
Abstract
We report large-scale quantum mechanical calculations for the ground-state energy E0 of the HF dimer on the SQSBDE potential energy surface of Quack and Suhm to compare with the recent calculations of Mladenovic and Lewerenz, who recently reported significantly lower energies than all previously published results. We confirm their results within 0.01 cm−1 with bases of 21 824–29 541 functions built on asymptotic HF monomer vibrational eigenfunctions.
Journal title
Chemical Physics Letters
Serial Year
2000
Journal title
Chemical Physics Letters
Record number
1773837
Link To Document