DOI: 10.1103/physrevb.55.7454. Simplified generalized-gradient approximation and anharmonicity: Benchmark calculations on molecules

Simplified generalized-gradient approximation and anharmonicity: Benchmark calculations on molecules

10.1103/physrevb.55.7454

Crossref journal-article

American Physical Society (APS)

Physical Review B (16)

Bibliography

Patton, D. C., Porezag, D. V., & Pederson, M. R. (1997). Simplified generalized-gradient approximation and anharmonicity: Benchmark calculations on molecules. Physical Review B, 55(12), 7454â7459.

Authors 3

David C. Patton (first)
Dirk V. Porezag (additional)
Mark R. Pederson (additional)

References 33 Referenced 141

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{'key': 'PhysRevB.55.7454Cc7R1', 'first-page': '10', 'volume': '114', 'author': 'T. Ziegler', 'year': '1992', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by T. Ziegler (1992)
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10.1103/PhysRevLett.74.3487 / Phys. Rev. Lett. by B. Hammer (1995)
10.1016/0009-2614(94)01120-6 / Chem. Phys. Lett. by M. R. Pederson (1994)
{'key': 'PhysRevB.55.7454Cc9R2', 'first-page': '9349', 'volume': '102', 'author': 'M. R. Pederson', 'year': '1995', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. by M. R. Pederson (1995)
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{'key': 'PhysRevB.55.7454Cc11R4', 'volume-title': 'Density Functional Methods in Chemistry', 'author': 'M. R. Pederson', 'year': '1991'} / Density Functional Methods in Chemistry by M. R. Pederson (1991)
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10.1007/BF01328480 / Z. Phys. by V. H. Schuler (1925)
10.1016/0031-8914(65)90125-4 / Physica by L. J. F. Hermans (1965)

Dates

Type	When
Created	23 years ago (July 26, 2002, 8:25 p.m.)
Deposited	8 years, 2 months ago (June 15, 2017, 3:47 a.m.)
Indexed	3 weeks, 6 days ago (July 28, 2025, 5:20 p.m.)
Issued	28 years, 5 months ago (March 15, 1997)
Published	28 years, 5 months ago (March 15, 1997)
Published Online	28 years, 5 months ago (March 15, 1997)

Funders 0

None

BibTeX

@article{Patton_1997, title={Simplified generalized-gradient approximation and anharmonicity: Benchmark calculations on molecules}, volume={55}, ISSN={1095-3795}, url={http://dx.doi.org/10.1103/physrevb.55.7454}, DOI={10.1103/physrevb.55.7454}, number={12}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Patton, David C. and Porezag, Dirk V. and Pederson, Mark R.}, year={1997}, month=mar, pages={7454–7459} }

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