On ‘infinite basis set limits’ in molecular electronic structure calculations
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,Applied Microbiology and Biotechnology,Biotechnology
Reference101 articles.
1. Even‐tempered atomic orbitals. III. Economic deployment of Gaussian primitives in expanding atomic SCF orbitals
2. Even‐tempered atomic orbitals. IV. Atomic orbital bases with pseudoscaling capability for molecular calculations
3. Even‐tempered atomic orbitals. VI. Optimal orbital exponents and optimal contractions of Gaussian primitives for hydrogen, carbon, and oxygen in molecules
4. Calculation of potential energy curves for electron capture by C3+from neutral lithium using spin-coupled VB theory
5. Geometry Optimization with an Infinite Basis Set
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