Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomics

2007 ◽  
Vol 9 (24) ◽  
pp. 3112 ◽  
Author(s):  
P?l Dahle ◽  
Trygve Helgaker ◽  
Dan Jonsson ◽  
Peter R. Taylor
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Basis Sets ◽  
Gaussian Type ◽  
Type Orbital ◽  
Orbital Basis

A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case

2007 ◽  
Vol 127 (15) ◽  
pp. 154102 ◽  
Author(s):  
Sergio Tosoni ◽  
Christian Tuma ◽  
Joachim Sauer ◽  
Bartolomeo Civalleri ◽  
Piero Ugliengo
Keyword(s):  
Plane Wave ◽  
Formic Acid ◽  
Basis Sets ◽  
Test Case ◽  
Gaussian Type ◽  
Type Orbital ◽  
Orbital Basis ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

scholarly journals Spin-State-Corrected Gaussian-Type Orbital Basis Sets

2010 ◽  
Vol 114 (26) ◽  
pp. 7191-7197 ◽  
Author(s):  
Marcel Swart ◽  
Mireia Güell ◽  
Josep M. Luis ◽  
Miquel Solà
Keyword(s):  
Spin State ◽  
Basis Sets ◽  
Gaussian Type ◽  
Type Orbital ◽  
Orbital Basis
Sign in / Sign up

Export Citation Format

Share Document