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International Journal of Quantum Chemistry is a peer-reviewed journal published by Wiley, covering Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Atomic and Molecular Physics. Over its lifetime it has published 19,730 papers, which have received 291,934 citations.
| Publisher | Wiley |
|---|---|
| Reference style | Author–year (Chicago) Author–year — (Smith, 2023) in the text Smith, Ada, Ben Jones, and Cara Lee. 2023. "A Representative Article Title." International Journal of Quantum Chemistry 12 (3): 45–58.
Formats any DOI in International Journal of Quantum Chemistry style. No sign-up. |
| Publishes research in | Advanced Chemical Physics Studies Spectroscopy and Quantum Chemical Studies Atomic and Molecular Physics Photochemistry and Electron Transfer Studies Molecular Junctions and Nanostructures |
| ISSN | 0020-7608 |
| Citation impact (2-yr) | 2.68 |
| h-index | 169 |
| i10-index | 6,568 |
| Article processing charge | $4,330 |
| Top institutions publishing here | University of Florida |
| Journal website | onlinelibrary.wiley.com |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
Citations each year’s papers have accumulated so far — the most recent years are still building up.
Abstract A contracted Gaussian basis set capable of describing about 63% of the correlation energy of N 2 has been used in a detailed configuration‐interaction calculation. Second‐order perturbation theory overestimated the correlation energy by 23–50% depending on how H 0 was chosen. Pair‐pair interaction affects the correlation energy by about 20% while quadruple excitations have…
The Planck’s law of blackbody radiation is derived in several methods in this paper. The original Planck’s derivation in his 1900 paper, the derivation by Einstein, and another derivation based on the Bose-Einstein statistics are reviewed with comments on each derivation. Statistical properties of radiation are briefly reviewed in the second part of the paper.…
Abstract A new method is proposed for the analysis of components of molecular interaction energy within the Hartree‐Fock approximation. The Hartree‐Fock molecular orbitals of the isolated molecules are used as the basis for the construction of Fock matrix of the supermolecule. Then certain blocks of this matrix are set to zero subject to specify boundary…
Jaguar is an ab initio quantum chemical program that specializes in fast electronic structure predictions for molecular systems of medium and large size. Jaguar focuses on computational methods with reasonable computational scaling with the size of the system, such as density functional theory (DFT) and local second‐order Møller–Plesset perturbation theory. The favorable scaling of the…
Recent developments in density functional theory (DFT) methods applicable to studies of large periodic systems are outlined. During the past three decades, DFT has become an essential part of computational materials science, addressing problems in materials design and processing. The theory allows us to interpret experimental data and to generate property data (such as binding…
