MP2 energy evaluation by direct methods
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- Type
- article
- Published
- 1988-12-30
- Cited by
- 2,290
- References
- 6
- OpenAlex
- https://openalex.org/W1974667766
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:93239086
Keywords
Energy (signal processing), Basis (linear algebra), Computer science, Point (geometry), Statistical physics
References
- Supercomputer Research in Chemistry and Chemical Engineering
- An unconventional scf method for calculations on large molecules
- Efficient recursive computation of molecular integrals over Cartesian Gaussian functions
- Optimized two-electron-integral transformation procedures for vector-concurrent computer architectures
- The influence of polarization functions on molecular orbital hydrogenation energies
- Principles for a direct SCF approach to LICAO–MOab‐initio calculations
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- Quantitative IR spectrum and vibrational assignments for glycolaldehyde vapor: glycolaldehyde measurements in biomass burning plumes.
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