Skip to content
RDL
Network
Ekosistem
Uygulama değiştir
EN
Hakkımızda
SSS
Giriş yap
Başla
Energy-adapted basis sets for quantal scattering calculations — Grażyna Staszewska (1987) | RDL Network
Back
Cite
Save
Save for later
Share
Home
Publications
Energy-adapted basis sets for quantal scattering calculations
Shared by
Donald G Truhlar
Energy-adapted basis sets for quantal scattering calculations
Article
1987
en
Authors
GS
Grażyna Staszewska
Donald G Truhlar
Abstract
1 min read
A simple technique for energy adapting translational basis functions for quantal scattering calculations is proposed. It is demonstrated to reduce the required number of basis functions by up to a factor of 5 for a test case.
Discussion
(0)
Sign in
to like and join the discussion.
No comments yet. Be the first to comment.
Related publications
Article
1988
A new potential energy surface for vibration–vibration coupling in HF–HF collisions. Formulation and quantal scattering calculations
David W. Schwenke
,
Donald G Truhlar
Article
1987
ℒ<sup>2</sup>Calculations of accurate quantal-dynamical reactive scattering transition probabilities and their use to test semiclassical applications
John Z. H. Zhang
,
Yici Zhang
,
Donald J. Kouri
,
Bruce C. Garrett
,
Kenneth Haug
,
David W. Schwenke
,
Donald G Truhlar
Article
1990
Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory
Yan Sun
,
Donald J. Kouri
,
Donald G Truhlar
,
David W. Schwenke
Article
1990
Localized basis functions and other computational improvements in variational nonorthogonal basis function methods for quantum mechanical scattering problems involving chemical reactions
David W. Schwenke
,
Donald G Truhlar
Article
2010
Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated <i>ab initio</i> Methods?
Frank Neese
,
Edward F. Valeev
Journal of Chemical Theory and Computation
Discussion(0)
No comments yet. Be the first to comment.