Related references
Note: Only part of the references are listed.Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters
Konrad H. Marti et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Obtaining the two-body density matrix in the density matrix renormalization group method
Dominika Zgid et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Orbital optimization in the density matrix renormalization group, with applications to polyenes and ß-carotene
Debashree Ghosh et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active space
Dominika Zgid et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The radical character of the acenes:: A density matrix renormalization group study
Johannes Hachmann et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Canonical transformation theory from extended normal ordering
Takeshi Yanai et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
New perspectives in multireference perturbation theory:: the n-electron valence state approach
Celestino Angeli et al.
THEORETICAL CHEMISTRY ACCOUNTS (2007)
Magnitude and significance of the higher-order reduced density matrix cumulants
John M. Herbert
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group
Johannes Hachmann et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan
Mariachiara Pastore et al.
CHEMICAL PHYSICS LETTERS (2006)
Canonical transformation theory for multireference problems
Takeshi Yanai et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
The vertical electronic spectrum of pyrrole:: A second and third order n-electron valence state perturbation theory study
Mariachiara Pastore et al.
CHEMICAL PHYSICS LETTERS (2006)
Third-order multireference perturbation theory:: The n-electron valence state perturbation-theory approach -: art. no. 054108
C Angeli et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Calibration of the n-electron valence state perturbation theory approach
RWA Havenith et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
An algorithm for large scale density matrix renormalization group calculations
GKL Chan
JOURNAL OF CHEMICAL PHYSICS (2004)
The CIPT2 method: Coupling of multi-reference configuration interaction and multi-reference perturbation theory. Application to the chromium dimer
P Celani et al.
MOLECULAR PHYSICS (2004)
n-electron valence state perturbation theory:: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants
C Angeli et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Numerical canonical transformation approach to quantum many-body problems
SR White
JOURNAL OF CHEMICAL PHYSICS (2002)
Cumulant-based approximations to reduced density matrices
FE Harris
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2002)
N-electron valence state perturbation theory:: a fast implementation of the strongly contracted variant
C Angeli et al.
CHEMICAL PHYSICS LETTERS (2001)
Multi-reference weak pairs local configuration interaction: efficient calculations of bond breaking
D Walter et al.
CHEMICAL PHYSICS LETTERS (2001)
Multireference Moller-Plesset method with a complete active space configuration interaction reference function
YK Choe et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Introduction of n-electron valence states for multireference perturbation theory
C Angeli et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Multireference perturbation theory for large restricted and selected active space reference wave functions
P Celani et al.
JOURNAL OF CHEMICAL PHYSICS (2000)