PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.430638
Reference32 articles.
1. PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed‐shell states
2. Ab initio calculations of small hydrides including electron correlation
3. Uses of pair energy techniques in molecular calculations: The ammonia molecule
4. Approximation of d- and f-type orbitals by spherical gaussian functions
5. Ab-initio calculations on small hydrides including electron correlation
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