A numerically stable orbital connection for the calculation of analytical Hessians using perturbation-dependent basis sets
Author/Authors :
Ruud، نويسنده , , Kenneth and Helgaker، نويسنده , , Trygve and Olsen، نويسنده , , Jeppe and Jّrgensen، نويسنده , , Paul and Bak، نويسنده , , Keld L.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Pages :
6
From page :
47
To page :
52
Abstract :
It is demonstrated that calculations of second-order molecular properties using perturbation-dependent basis sets are most efficiently carried out using the natural connection.
