Second and third derivatives of variational energy expressions: Application to multiconfigurational self‐consistent field wave functions
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.445372
Reference30 articles.
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4. A quadratically convergent multiconfiguration–self‐consistent field method with simultaneous optimization of orbitals and CI coefficients
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