Author/Authors :
Volobuev، نويسنده , , Yuri and Necoechea، نويسنده , , William C and Truhlar، نويسنده , , Donald G، نويسنده ,
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.