correlation Multireference configuration interaction (MRCI) Multi-configurational self-consistent field (MCSCF) Post-Hartree–Fock Quadratic configuration interaction...

In quantum chemistry, the multireference configuration interaction (MRCI) method consists of a configuration interaction expansion of the eigenstates of...

in many standard methods such as Hartree–Fock theory, multireference configuration interaction, finite-order Møller–Plesset perturbation theory, and coupled...

wave functions are often used as reference states for multireference configuration interaction (MRCI) or multi-reference perturbation theories like complete...

geometry optimization for multireference cases. By the same year, the first internally contracted multireference configuration interaction (IC-MRCI) program was...

be careful that both states are equally balanced (e.g., Multireference configuration interaction). In simple terms, the molecular orbitals of the Hartree–Fock...

hardware interface for Microsoft DoubleSpace/DriveSpace Multireference configuration interaction, a method in quantum chemistry This disambiguation page...

Møller–Plesset perturbation theory Coupled cluster CASSCF Multireference configuration interaction methods Symmetry-adapted perturbation theory Several methods...

Robert J. Buenker and Sigrid D. Peyerimhoff introduce the multireference configuration interaction method. 1975 Martin Perl discovers the tau lepton 1977...

finite-size space of determinants. The resulting wavefunction is of multireference nature, and is blessed by additional properties if compared to other...

Peyerimhoff (1937–), contributed to the development of multireference configuration interaction John Pople (1925–2004), winner of 1998 Nobel Prize in Chemistry...

metals); computation of NMR-chemical shifts; semi-empirical multireference configuration interaction (MRCI) methods. Semi-empirical method developments are...

of ab initio quantum chemical methods, in particular, multireference configuration interaction, and to their application in many fields of physics and...

electronic structure methods for excited states, like the multireference configuration interaction (MRCI) or the linear-response time-dependent density functional...

Multi-configurational self-consistent field (MCSCF) Multireference single and double configuration interaction (MRCISD) N-electron valence state perturbation...

self-consistent field (MC-SCF) and internally contracted multireference configuration interaction (MR-CI). Simultaneously, in the 1980s, MOLPRO was extended...

The computational cost of evaluating the vibronic coupling using (multireference) wave function theory has led to the idea of evaluating them at the...

programs pioneered the Graphical Unitary Group Approach (GUGA) for configuration interaction calculations, which is now available in many other program suites...

200 °C. The chromium–chromium quintuple bond has been analyzed with multireference ab initio and DFT methods, which were also used to elucidate the role...

demonstrates that UDFT-ZORA geometries give reliable starting points for multireference (CASSCF) treatments of large actinide systems, a practical route when...

Ernest R.; Jarzecki, A. A. (1999). K. Hirao (ed.). Recent Advances in Multireference Methods. World Scientific. pp. 31–63. ISBN 978-981-02-3777-6. Glaesemann...

PMID 34264062. Voloshina, Elena; Paulus, Beate (2014-04-08). "First Multireference Correlation Treatment of Bulk Metals". Journal of Chemical Theory and...

theory, multiplet theory, and multireference calculations, they were able to map the ground state electronic configuration. This showed that the lowest...