Many-body perturbation theory and coupled cluster theory for electron correlation in molecules
RJ Bartlett - Annual review of physical chemistry, 1981 - annualreviews.org
Ten years ago in the Annual Review of Physical Chemistry. there was a review article
entitled" Many-Body Theories of the Electronic Structure of Atoms and Molecules," by Karl …
entitled" Many-Body Theories of the Electronic Structure of Atoms and Molecules," by Karl …
Coupled-cluster theory in quantum chemistry
RJ Bartlett, M Musiał - Reviews of Modern Physics, 2007 - APS
Today, coupled-cluster theory offers the most accurate results among the practical ab initio
electronic-structure theories applicable to moderate-sized molecules. Though it was …
electronic-structure theories applicable to moderate-sized molecules. Though it was …
[PDF][PDF] Applications of Post‐Hartree—Fock Methods: A Tutorial
RJ Bartlett, JF Stanton - Reviews in computational chemistry, 1994 - chem.pku.edu.cn
This chapter is meant to be a condensed (!) tutorial on the intelligent use of post-Hartree-
Fock (correlated) methods for the determination of molecular structure and spectra.'The …
Fock (correlated) methods for the determination of molecular structure and spectra.'The …
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state …
JF Stanton, RJ Bartlett - The Journal of chemical physics, 1993 - pubs.aip.org
A comprehensive overview of the equation of motion coupled‐cluster (EOM‐CC) method
and its application to molecular systems is presented. By exploiting the biorthogonal nature …
and its application to molecular systems is presented. By exploiting the biorthogonal nature …
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
GD Purvis, RJ Bartlett - The Journal of Chemical Physics, 1982 - pubs.aip.org
The coupled-cluster singles and doubles model (CCSD) is derived algebraically, presenting
the full set of equations for a general reference function explicitly in spin-<> rbital form. The …
the full set of equations for a general reference function explicitly in spin-<> rbital form. The …
Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies …
A new, noniterative triples correction to the coupled-cluster singles and doubles (CCSD),
method, for general single determinant reference functions is proposed and investigated …
method, for general single determinant reference functions is proposed and investigated …
The full CCSDT model for molecular electronic structure
J Noga, RJ Bartlett - The Journal of chemical physics, 1987 - pubs.aip.org
The full coupled‐cluster model (CCSDT) single, double, and triple excitation method defined
by the wave function exp (T 1+ T 2+ T 3)‖ Φ0> is formulated and computationally …
by the wave function exp (T 1+ T 2+ T 3)‖ Φ0> is formulated and computationally …
Many‐body perturbation theory, coupled‐pair many‐electron theory, and the importance of quadruple excitations for the correlation problem
RJ Bartlett, GD Purvis - International Journal of Quantum …, 1978 - Wiley Online Library
Many‐body (diagrammatic) perturbation theory (mbpt), coupled‐pair many‐electron theory
(cpmet), and configuration interaction (ci) are investigated with particular emphasis on the …
(cpmet), and configuration interaction (ci) are investigated with particular emphasis on the …
[BOOK][B] Many-body methods in chemistry and physics: MBPT and coupled-cluster theory
I Shavitt, RJ Bartlett - 2009 - books.google.com
Written by two leading experts in the field, this book explores the'many-body'methods that
have become the dominant approach in determining molecular structure, properties and …
have become the dominant approach in determining molecular structure, properties and …
Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry
RJ Bartlett - The Journal of Physical Chemistry, 1989 - ACS Publications
One goal of ab initio quantumchemistry is to be predictive. Predictive quantum chemistry
requires a very accurate inclusion of the essential effects of electron correlation. Coupled …
requires a very accurate inclusion of the essential effects of electron correlation. Coupled …