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introduction_to_molpro [2026/01/27 09:26] dollintroduction_to_molpro [2026/01/27 09:31] (current) doll
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   - Support for Mac OS X   - Support for Mac OS X
   - Ring-polymer instanton methods for rate and tunnelling-splitting calculations, as described in //J. O. Richardson and S. C. Althorpe//, [[https://dx.doi.org/10.1063/1.3267318|J. Chem. Phys.]] **131**, 214106 (2009), and //ibid.// **134**, 054109 (2011).   - Ring-polymer instanton methods for rate and tunnelling-splitting calculations, as described in //J. O. Richardson and S. C. Althorpe//, [[https://dx.doi.org/10.1063/1.3267318|J. Chem. Phys.]] **131**, 214106 (2009), and //ibid.// **134**, 054109 (2011).
-  - Full Configuration Interation Quantum Monte Carlo (FCIQMC) as described in //G. H. Booth, A. J. W. Thom, and A. Alavi//, [[https://dx.doi.org/10.1063/1.3193710|J. Chem. Phys.]] **131**, 054106 (2009), //D. M. Cleland, G. H. Booth, and A. Alavi//, [[https://dx.doi.org/10.1063/1.3525712|J. Chem. Phys.]] **134**, 024112 (2011), and //G. H. Booth, D. M. Cleland, A. J. W. Thom, and A. Alavi//, [[https://dx.doi.org/10.1063/1.3624383|J. Chem. Phys.]] **135**, 084104 (2011).+  - Full Configuration Interaction Quantum Monte Carlo (FCIQMC) as described in //G. H. Booth, A. J. W. Thom, and A. Alavi//, [[https://dx.doi.org/10.1063/1.3193710|J. Chem. Phys.]] **131**, 054106 (2009), //D. M. Cleland, G. H. Booth, and A. Alavi//, [[https://dx.doi.org/10.1063/1.3525712|J. Chem. Phys.]] **134**, 024112 (2011), and //G. H. Booth, D. M. Cleland, A. J. W. Thom, and A. Alavi//, [[https://dx.doi.org/10.1063/1.3624383|J. Chem. Phys.]] **135**, 084104 (2011).
  
 Future enhancements presently under development include Future enhancements presently under development include