MP2-R12 methods

``Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability,'' R. M. Parrish, L. A. Burns, D. G. A. Smith, A. C. Simmonett, A. E. DePrince, E. G. Hohenstein, U. Bozkaya, A. Yu. Sokolov, R. Di Remigio, R. M. Richard, J. F. Gonthier, A. M. James, H. R. McAlexander, A. Kumar, M. Saitow, X. Wang, B. P. Pritchard, P. Verma, H. F. Schaefer, K. Patkowski, R. A. King, E. F. Valeev, F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill, J. Chem. Theory Comput. 13, 3185-3197 (2017) (doi: 10.1021/acs.jctc.7b00174)

``PSI4: An Open-Source Ab Initio Electronic Structure Program,'' J. M. Turney, A. C. Simmonett, R. M. Parrish, E. G. Hohenstein, F. A. Evangelista, J. T. Fermann, B. J. Mintz, L. A. Burns, J. J. Wilke, M. L. Abrams, N. J. Russ, M. L. Leininger, C. L. Janssen, E. T. Seidl, W. D. Allen, H. F. Schaefer, R. A. King, E. F. Valeev, C. D. Sherrill, and T. D. Crawford, WIREs Comput. Mol. Sci. 2, 556-565 (2012) (doi: 10.1002/wcms.93)

``PSI3: An Open-Source Ab Initio Electronic Structure Package,'' T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King, M. L. Leininger, S. T. Brown, C. L. Janssen, E. T. Seidl, J. P. Kenny, and W. D. Allen, J. Comput. Chem. 28, 1610-1616 (2007) (doi: 10.1002/jcc.20573)

``A Comparison of One-Particle Basis Set Completeness, Higher-Order Electron Correlation, Relativistic Effects, And Adiabatic Corrections for Spectroscopic Constants of BH, CH⁺, and NH,'' B. Temelso, E. F. Valeev, and C. D. Sherrill, J. Phys. Chem. A 108, 3068-3075 (2004) (doi: 10.1021/jp036933+)

``The Electron and Nuclear Orbitals Model: Current Challenges and Future Prospects,'' A. D. Bochevarov, E. F. Valeev, and C. D. Sherrill, Mol. Phys. 102, 111-123 (2004) (doi: 10.1080/00268970410001668525)

``On the Accuracy Limits of Orbital Expansion Methods: Explicit Effects of K-functions On Atomic and Molecular Energies,'' E. F. Valeev, W. D. Allen, R. Hernandez, C. D. Sherrill, and H. F. Schaefer, J. Chem. Phys. 118, 8594-8610 (2003) (doi: 10.1063/1.1566744)

``The Diagonal Born-Oppenheimer Correction Beyond The Hartree-Fock Approximation,'' E. F. Valeev and C. D. Sherrill, J. Chem. Phys. 118, 3921-3927 (2003) (doi: 10.1063/1.1540626)

``Estimates of the Ab Initio Limit for π-π Interactions: The Benzene Dimer,'' M. O. Sinnokrot, E. F. Valeev, and C. D. Sherrill, J. Am. Chem. Soc. 124, 10887-10893 (2002) (doi: 10.1021/ja025896h)

``The Equilibrium Geometry, Harmonic Vibrational Frequencies, and Estimated Ab Initio Limit for the Barrier To Planarity of the Ethylene Radical Cation,'' M. L. Abrams, E. F. Valeev, C. D. Sherrill, and T. D. Crawford, J. Phys. Chem. A 106, 2671-2675 (2002) (doi: 10.1021/jp0134143)