10 results on '"Knizia, Gerald"'
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2. Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory
3. Analytical energy gradients for second-order multireference perturbation theory using density fitting
4. A new internally contracted multi-reference configuration interaction method
5. Explicitly correlated multireference configuration interaction: MRCI-F12
6. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets
7. Simplified CCSD(T)-F12 methods: Theory and benchmarks
8. Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory
9. Explicitly correlated RMP2 for high-spin open-shell reference states
10. A simple and efficient CCSD(T)-F12 approximation
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