标题
Lowering of the complexity of quantum chemistry methods by choice of representation
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 4, Pages 044106
出版商
AIP Publishing
发表日期
2018-01-24
DOI
10.1063/1.5007779
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Low rank factorization of the Coulomb integrals for periodic coupled cluster theory
- (2017) Felix Hummel et al. JOURNAL OF CHEMICAL PHYSICS
- Gaussian and plane-wave mixed density fitting for periodic systems
- (2017) Qiming Sun et al. JOURNAL OF CHEMICAL PHYSICS
- Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis
- (2017) Tobias Schäfer et al. JOURNAL OF CHEMICAL PHYSICS
- Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids
- (2017) James McClain et al. Journal of Chemical Theory and Computation
- Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
- (2017) Narbe Mardirossian et al. MOLECULAR PHYSICS
- Py SCF: the Python-based simulations of chemistry framework
- (2017) Qiming Sun et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity
- (2016) Chenchen Song et al. JOURNAL OF CHEMICAL PHYSICS
- Numerical solution of the Sinanoǧlu equation using a multicentre radial-angular grid
- (2016) So Hirata et al. MOLECULAR PHYSICS
- Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals
- (2015) Peter Pinski et al. JOURNAL OF CHEMICAL PHYSICS
- Cubic-scaling algorithm and self-consistent field for the random-phase approximation with second-order screened exchange
- (2014) Jonathan E. Moussa JOURNAL OF CHEMICAL PHYSICS
- Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si
- (2014) Merzuk Kaltak et al. PHYSICAL REVIEW B
- Communication: The distinguishable cluster approximation
- (2013) Daniel Kats et al. JOURNAL OF CHEMICAL PHYSICS
- A Guided Stochastic Energy-Domain Formulation of the Second Order Møller–Plesset Perturbation Theory
- (2013) Qinghui Ge et al. Journal of Physical Chemistry Letters
- Exact Tensor Hypercontraction: A Universal Technique for the Resolution of Matrix Elements of Local Finite-RangeN-Body Potentials in Many-Body Quantum Problems
- (2013) Robert M. Parrish et al. PHYSICAL REVIEW LETTERS
- cp2k: atomistic simulations of condensed matter systems
- (2013) Jürg Hutter et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Computing many-body wave functions with guaranteed precision: The first-order Møller-Plesset wave function for the ground state of helium atom
- (2012) Florian A. Bischoff et al. JOURNAL OF CHEMICAL PHYSICS
- Stochastic evaluation of second-order many-body perturbation energies
- (2012) Soohaeng Yoo Willow et al. JOURNAL OF CHEMICAL PHYSICS
- Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory
- (2012) Edward G. Hohenstein et al. JOURNAL OF CHEMICAL PHYSICS
- Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems
- (2012) Daniel Neuhauser et al. Journal of Chemical Theory and Computation
- Tensor factorizations of local second-order Møller–Plesset theory
- (2011) Jun Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Rethinking linearized coupled-cluster theory
- (2009) Andrew G. Taube et al. JOURNAL OF CHEMICAL PHYSICS
- Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria
- (2009) Bernd Doser et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
- (2009) Frank Neese et al. JOURNAL OF CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish 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 More