4.7 Article

Direct ΔMBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers

Related references

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

Infinite order relaxation effects for core ionization energies with a variational coupled cluster ansatz

Thomas J. Watson et al.

CHEMICAL PHYSICS LETTERS (2013)

Article Chemistry, Physical

Communication: A new approach to dual-basis second-order Moller-Plesset calculations

Jia Deng et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Multireference coupled-cluster theory: The easy way

Monika Musial et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Scaled opposite-spin CC2 for ground and excited states with fourth order scaling computational costs

Nina O. C. Winter et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Computer Science, Interdisciplinary Applications

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

M. Valiev et al.

COMPUTER PHYSICS COMMUNICATIONS (2010)

Article Chemistry, Physical

A coupled-cluster approach to the many-body perturbation theory for open-shell systems

Ingvar Lindgren

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)

Article Chemistry, Physical

Levels of self-consistency in the GW approximation

Adrian Stan et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Second-Order Perturbation Theory with Fractional Charges and Fractional Spins

Aron J. Cohen et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Chemistry, Physical

Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states

Arnim Hellweg et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Assessment of transition operator reference states in electron propagator calculations

Roberto Flores-Moreno et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Correlated one-particle method: Numerical results

A Beste et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Independent particle theory with electron correlation

A Beste et al.

JOURNAL OF CHEMICAL PHYSICS (2004)