State of the art of molecular electronic structure computations : correlation methods, basis sets and more /
State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances in Quantum Chemistry series, presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established...
| Other Authors: | , |
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| Format: | eBook |
| Language: | English |
| Published: |
Cambridge, MA :
Academic Press, an imprint of Elsevier,
2019.
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| Series: | Advances in quantum chemistry ;
v. 79. |
| Subjects: | |
| Online Access: | Full Text via HEAL-Link |
| Summary: | State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances in Quantum Chemistry series, presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. Chapters in this new release include Computing accurate molecular properties in real space using multiresolution analysis, Self-consistent electron-nucleus cusp correction for molecular orbitals, Correlated methods for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and much more. -- |
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| Item Description: | Includes index. |
| Physical Description: | 1 online resource. |
| ISBN: | 9780128161746 9780128161753 0128161752 0128161744 |
