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Buch Cover Basis Sets in Computational Chemistry

Springer International Publishing
160.49 € · Hardcover

quantum chemistry wave function basis sets basis set superposition error orbitals electronic structure density functional theory slater-type orbital discretization error analysis

This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapter...

Basis Sets in Computational Chemistry

Springer International Publishing
139.09 € · Paperback

quantum chemistry wave function basis sets basis set superposition error orbitals electronic structure density functional theory slater-type orbital discretization error analysis

This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapter...

Basis Sets in Computational Chemistry

Springer International Publishing
128.39 € · eBook

quantum chemistry wave function basis sets basis set superposition error orbitals electronic structure density functional theory slater-type orbital discretization error analysis

This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapter...

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