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Effective potential for natural spin orbitals.
Pernal K. Pernal K. Phys Rev Lett. 2005 Jun 17;94(23):233002. doi: 10.1103/PhysRevLett.94.233002. Epub 2005 Jun 13. Phys Rev Lett. 2005. PMID: 16090468
Exact and approximate adiabatic connection formulae for the correlation energy in multireference ground and excited states.
Pernal K. Pernal K. J Chem Phys. 2018 Nov 28;149(20):204101. doi: 10.1063/1.5048988. J Chem Phys. 2018. PMID: 30501241
Recently it has been shown how to employ the adiabatic connection (AC) formalism to obtain correlation energy for multireference wavefunctions [K. Pernal, Phys. Rev. Lett. 120, 013001 (2018)]. Approximations to the exact AC formulation have been based on assuming th …
Recently it has been shown how to employ the adiabatic connection (AC) formalism to obtain correlation energy for multireference wavefunctio …
66 results