4.6 Article

Embedding a multideterminantal wave function in an orbital-free environment

Related references

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

Embedding wave function theory in density functional theory

Thomas M. Henderson

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Density functional embedding for molecular systems

M Iannuzzi et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Chemistry, Physical

An explicit quantum chemical method for modeling large solvation shells applied to aminocoumarin C151

J Neugebauer et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Materials Science, Multidisciplinary

Multiscale simulations in simple metals: A density-functional-based methodology

N Choly et al.

PHYSICAL REVIEW B (2005)

Article Chemistry, Physical

Correlation potentials for a multiconfigurational-based density functional theory with exact exchange

S Gusarov et al.

THEORETICAL CHEMISTRY ACCOUNTS (2004)

Article Chemistry, Physical

Ab initio density functional theory:: OEP-MBPT(2).: A new orbital-dependent correlation functional

I Grabowski et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Materials Science, Multidisciplinary

Density-functional embedding using a plane-wave basis

JR Trail et al.

PHYSICAL REVIEW B (2000)

Article Chemistry, Physical

The combination of density functional theory with multi-configuration methods -: CAS-DFT

J Gräfenstein et al.

CHEMICAL PHYSICS LETTERS (2000)