The second-order approximate internally contracted multireference coupled-cluster singles and doubles method icMRCC2
Published 2019 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
The second-order approximate internally contracted multireference coupled-cluster singles and doubles method icMRCC2
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 151, Issue 4, Pages 041106
Publisher
AIP Publishing
Online
2019-07-30
DOI
10.1063/1.5115045
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order
- (2019) Yuri Alexandre Aoto et al. Journal of Chemical Theory and Computation
- Reference Energies for Double Excitations
- (2019) Pierre-François Loos et al. Journal of Chemical Theory and Computation
- Linear and quadratic internally contracted multireference coupled-cluster approximations
- (2019) Joshua A. Black et al. JOURNAL OF CHEMICAL PHYSICS
- Multi-reference algebraic diagrammatic construction theory for excited states: General formulation and first-order implementation
- (2018) Alexander Yu. Sokolov JOURNAL OF CHEMICAL PHYSICS
- The IPEA dilemma in CASPT2
- (2017) J. Patrick Zobel et al. Chemical Science
- Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure
- (2014) Marcel Nooijen et al. JOURNAL OF CHEMICAL PHYSICS
- Excited states with internally contracted multireference coupled-cluster linear response theory
- (2014) Pradipta Kumar Samanta et al. JOURNAL OF CHEMICAL PHYSICS
- Benchmarking Coupled Cluster Methods on Valence Singlet Excited States
- (2014) Dániel Kánnár et al. Journal of Chemical Theory and Computation
- Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies
- (2013) Igor Schapiro et al. Journal of Chemical Theory and Computation
- Multireference equation-of-motion coupled cluster theory
- (2012) Dipayan Datta et al. JOURNAL OF CHEMICAL PHYSICS
- Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory
- (2012) Matthias Hanauer et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Restoring full size extensivity in internally contracted multireference coupled cluster theory
- (2012) Matthias Hanauer et al. JOURNAL OF CHEMICAL PHYSICS
- Pilot applications of internally contracted multireference coupled cluster theory, and how to choose the cluster operator properly
- (2011) Matthias Hanauer et al. JOURNAL OF CHEMICAL PHYSICS
- An orbital-invariant internally contracted multireference coupled cluster approach
- (2011) Francesco A. Evangelista et al. JOURNAL OF CHEMICAL PHYSICS
- Molpro: a general-purpose quantum chemistry program package
- (2011) Hans-Joachim Werner et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- A worrisome failure of the CC2 coupled-cluster method when applied to ozone
- (2010) Mathias Pabst et al. CHEMICAL PHYSICS LETTERS
- Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
- (2008) Marko Schreiber et al. JOURNAL OF CHEMICAL PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now