Article ID Journal Published Year Pages File Type
5380643 Chemical Physics Letters 2014 5 Pages PDF
Abstract

- Extended coupled cluster method using coupled and decoupled approximation is used.
- The potential energy surface calculations are done.
- HF, N2, C2 are used as test molecules.
- Decoupled approximation shows good convergence at large internuclear geometries.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Extended coupled cluster method for potential energy surface: A decoupled approach
Authors
, ,