Generating functionals based formulation of the method of moments of coupled cluster equations

Review Chemistry, Physical

Triple excitations in state-specific multireference coupled cluster theory:: Application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems

Francesco A. Evangelista et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance

Xiangzhu Li et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Improving upon CCSD(T):: ΛCCSD(T).: II.: Stationary formulation and derivatives

Andrew G. Taube et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Improving upon CCSD(T):: ΛCCSD(T).: I. Potential energy surfaces

Andrew G. Taube et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals:: The CCSD(T)(R12)over-bar model

Edward F. Valeev et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Multireference Brillouin-Wigner coupled cluster method with singles, doubles, and triples: Efficient implementation and comparison with approximate approaches

Ondrej Demel et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation

Edward F. Valeev

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

添加到收藏夹

Review Chemistry, Physical

Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian to open-shell systems: A benchmark study

Marta Wloch et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

添加到收藏夹

Article Chemistry, Physical

Breaking bonds with the left eigenstate completely renormalized coupled-cluster method

Yingbin Ge et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

A relativistic 4-component general-order multi-reference coupled cluster method: initial implementation and application to HBr

Timo Fleig et al.

THEORETICAL CHEMISTRY ACCOUNTS (2007)

添加到收藏夹

Review Physics, Multidisciplinary

Coupled-cluster theory in quantum chemistry

Rodney J. Bartlett et al.

REVIEWS OF MODERN PHYSICS (2007)

添加到收藏夹

Article Chemistry, Physical

Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction

Marcel Nooijen et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2006)

添加到收藏夹

Review Chemistry, Physical

Symbolic algebra in quantum chemistry

So Hirata

THEORETICAL CHEMISTRY ACCOUNTS (2006)

添加到收藏夹

Article Chemistry, Physical

Initial applications of an exponential multi-reference wavefunction ansatz

M Hanrath

CHEMICAL PHYSICS LETTERS (2006)

添加到收藏夹

Article Chemistry, Physical

Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

P Piecuch et al.

CHEMICAL PHYSICS LETTERS (2006)

添加到收藏夹

Article Chemistry, Physical