4.4 Article

On the importance of orbital localization in QC-DMRG calculations

Related references

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

Orbital optimization in the density matrix renormalization group, with applications to polyenes and ß-carotene

Debashree Ghosh et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Targeted excited state algorithms

Jonathan J. Dorando et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group

Johannes Hachmann et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Recursive generation of natural orbitals in a truncated orbital space

XZ Li et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)

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

An algorithm for large scale density matrix renormalization group calculations

GKL Chan

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Quantum chemistry using the density matrix renormalization group II

AO Mitrushenkov et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

QC-DMRG study of the ionic-neutral curve crossing of LiF

Ö Legeza et al.

MOLECULAR PHYSICS (2003)

Article Materials Science, Multidisciplinary

Optimizing the density-matrix renormalization group method using quantum information entropy

O Legeza et al.

PHYSICAL REVIEW B (2003)

Article Chemistry, Physical

Quantum chemistry using the density matrix renormalization group

AO Mitrushenkov et al.

JOURNAL OF CHEMICAL PHYSICS (2001)