Author pages are created from data sourced from our academic publisher partnerships and public sources.
Coupled-cluster theory in quantum chemistry
Today, coupled-cluster theory offers the most accurate results among the practical ab initio electronic-structure theories applicable to moderate-sized molecules. Though it was originally proposed… Expand
Multireference nature of chemistry: the coupled-cluster view.
Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches
Abstract The recently proposed renormalized (R) and completely renormalized (CR) coupled-cluster (CC) methods of the CCSD[T] and CCSD(T) types have been implemented using recursively generated… Expand
Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states
Abstract.The method of moments of coupled-cluster equations (MMCC), which provides a systematic way of improving the results of the standard coupled-cluster (CC) and equation-of-motion CC (EOMCC)… Expand
Multireference coupled-cluster theory: the easy way.
The multi-ionization equation-of-motion coupled-cluster (CC) method is developed for multireference (MR) problems. It is operationally single reference, depending upon a formal matrix diagonalization… Expand
Multireference Fock-space coupled-cluster and equation-of-motion coupled-cluster theories: the detailed interconnections.
The multireference Fock-space coupled-cluster (FS-CC) equations constructed via the effective Hamiltonian approach are reduced to those obtained through a partitioning technique for the matrix… Expand
Multireference Fock space coupled cluster method in the effective and intermediate Hamiltonian formulation for the (2,0) sector.
- M. Musiał
- Chemistry, Medicine
- The Journal of chemical physics
- 6 April 2012
The effective and intermediate Hamiltonian (IH) multireference coupled cluster (CC) method with singles (S) and doubles (D) within the double electron attached (2,0) sector of the Fock space (FS) is… Expand
The excited, ionized and electron attached states within the EOM-CC approach with full inclusion of connected triple excitations
- M. Musiał
- 31 August 2010
A full inclusion of the connected single (S), double (D) and triple (T) excitations into the equation-of-motion (EOM) coupled-cluster (CC) approach is discussed in the context of the calculations of… Expand
Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method
The equation-of-motion coupled-cluster method with the full inclusion of the single, double, and triple excitations (EOM-CCSDT) has been formulated and implemented. The proper factorization procedure… Expand
Equation-of-motion coupled cluster method with full inclusion of the connected triple excitations for ionized states: IP-EOM-CCSDT
The equation-of-motion (EOM) coupled cluster (CC) method with full inclusion of the connected triple excitations for ionization energies has been formulated and implemented. Using proper… Expand