A NUMERICALLY STABLE ORBITAL CONNECTION FOR THE CALCULATION OF ANALYTICAL HESSIANS USING PERTURBATION-DEPENDENT BASIS-SETS

Authors
RUUD K HELGAKER T OLSEN J JORGENSEN P BAK KL
Citation
K. Ruud et al., A NUMERICALLY STABLE ORBITAL CONNECTION FOR THE CALCULATION OF ANALYTICAL HESSIANS USING PERTURBATION-DEPENDENT BASIS-SETS, Chemical physics letters, 235(1-2), 1995, pp. 47-52
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
235
Issue
1-2
Year of publication
1995
Pages
47 - 52
Database
ISI
SICI code
0009-2614(1995)235:1-2<47:ANSOCF>2.0.ZU;2-9
Abstract
It is demonstrated that calculations of second-order molecular propert ies using perturbation-dependent basis sets are most efficiently carri ed out using the natural connection.