4.7 Article

Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

iCI: Iterative CI toward full CI

Wenjian Liu et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Chemistry, Physical

The ab-initio density matrix renormalization group in practice

Roberto Olivares-Amaya et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Compressive sampling in configuration interaction wavefunctions

Peter J. Knowles

MOLECULAR PHYSICS (2015)

Article Chemistry, Physical

A driven similarity renormalization group approach to quantum many-body problems

Francesco A. Evangelista

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory

Wataru Mizukami et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Multidisciplinary Sciences

Towards an exact description of electronic wavefunctions in real solids

George H. Booth et al.

NATURE (2013)

Article Chemistry, Multidisciplinary

Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II

Yuki Kurashige et al.

NATURE CHEMISTRY (2013)

Article Physics, Multidisciplinary

Semistochastic Projector Monte Carlo Method

F. R. Petruzielo et al.

PHYSICAL REVIEW LETTERS (2012)

Article Chemistry, Multidisciplinary

PSI4: an open-source ab initio electronic structure program

Justin M. Turney et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Physical

Focal Point Analysis of the Singlet-Triplet Energy Gap of Octacene and Larger Acenes

Balazs Hajgato et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Physics, Multidisciplinary

Large-Scale Semidefinite Programming for Many-Electron Quantum Mechanics

David A. Mazziotti

PHYSICAL REVIEW LETTERS (2011)

Article Chemistry, Physical

A priori identification of configurational deadwood

Laimutis Bytautas et al.

CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

George H. Booth et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Physics, Nuclear

Importance truncation for large-scale configuration interaction approaches

Robert Roth

PHYSICAL REVIEW C (2009)

Article Chemistry, Physical

The radical character of the acenes:: A density matrix renormalization group study

Johannes Hachmann et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Relativistic DMRG calculations on the curve crossing of cesium hydride

G Moritz et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Important configurations in configuration interaction and coupled-cluster wave functions

ML Abrams et al.

CHEMICAL PHYSICS LETTERS (2005)

Article Chemistry, Physical

Improved implementation and application of the individually selecting configuration interaction method

P Stampfuss et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

A spectroscopy oriented configuration interaction procedure

F Neese

JOURNAL OF CHEMICAL PHYSICS (2003)