A universal basis set for high-precision molecular electronic structure studies
Author:
Publisher
IOP Publishing
Subject
Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://stacks.iop.org/0953-4075/27/i=1/a=007/pdf
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1. Principles for a directSCFapproach toLICAO-MOab-initiocalculations
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3. Even‐tempered atomic orbitals. VI. Optimal orbital exponents and optimal contractions of Gaussian primitives for hydrogen, carbon, and oxygen in molecules
4. Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+,A2Πu,B2Σu+) Molecular Ions
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