Keywords

Density functional theoryHybrid functionalPerturbation theory (quantum mechanics)Møller–Plesset perturbation theoryBasis (linear algebra)Computational chemistryPhysicsMoleculeAtomic physicsMolecular physicsChemistryQuantum mechanicsMathematicsGeometry

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Publication Info

Year
1995
Type
article
Volume
246
Issue
1-2
Pages
40-44
Citations
409
Access
Closed

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Charles W. Bauschlicher (1995). A comparison of the accuracy of different functionals. Chemical Physics Letters , 246 (1-2) , 40-44. https://doi.org/10.1016/0009-2614(95)01089-r

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DOI
10.1016/0009-2614(95)01089-r