- now
standard works in the field.
These methods,
collectively called multireference coupled cluster formalisms, are
versatile and
powerful methods for predicting...
- In
quantum chemistry, the
multireference configuration interaction (MRCI)
method consists of a
configuration interaction expansion of the
eigenstates of...
- finite-size
space of determinants. The
resulting wavefunction is of
multireference nature, and is
blessed by
additional properties if
compared to other...
- from
which all singly, doubly, ...
excited determinants are
included (
multireference configuration interaction). MRCI also
gives better correlation of the...
- mort par
Jacques Louis-David :
saint Sébastien révolutionnaire,
miroir multiréférencé de Rome,
Brussels (2005),
available at the KBR, Brussels. Sainte-Fare...
-
provided geometry optimization for
multireference cases. By the same year, the
first internally contracted multireference configuration interaction (IC-MRCI)...
-
density functional theory, many-body perturbation,
coupled cluster, and
multireference methods. ORCA
provides an easy-to-learn
input structure and thus high...
- com****tional
theoretical chemist specialized on
development and
application of
multireference methods for the
study of
molecular excited states. He is the main developer...
-
Complete active space perturbation theory (CASPTn) is a
multireference electron correlation method for com****tional
investigation of
molecular systems...
- varied).
MCSCF wave
functions are
often used as
reference states for
multireference configuration interaction (MRCI) or multi-reference
perturbation theories...
