Are fragment-based quantum chemistry methods applicable to medium-sized water clusters?

Pair–Pair Approximation to the Generalized Many-Body Expansion: An Alternative to the Four-Body Expansion for ab Initio Prediction of Protein Energetics via Molecular Fragmentation

(2016) Jie Liu et al.   Journal of Chemical Theory and Computation

Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules

(2015) Krishnan Raghavachari et al.   CHEMICAL REVIEWS

Energy-Based Molecular Fragmentation Methods

(2015) Michael A. Collins et al.   CHEMICAL REVIEWS

Many-Body Basis Set Superposition Effect

(2015) John F. Ouyang et al.   Journal of Chemical Theory and Computation

Analysis of Different Fragmentation Strategies on a Variety of Large Peptides: Implementation of a Low Level of Theory in Fragment-Based Methods Can Be a Crucial Factor

(2015) Arjun Saha et al.   Journal of Chemical Theory and Computation

Molecular Tailoring Approach: A Route for ab Initio Treatment of Large Clusters

(2014) Nityananda Sahu et al.   ACCOUNTS OF CHEMICAL RESEARCH

The Combined Fragmentation and Systematic Molecular Fragmentation Methods

(2014) Michael A. Collins et al.   ACCOUNTS OF CHEMICAL RESEARCH

Generalized Energy-Based Fragmentation Approach and Its Applications to Macromolecules and Molecular Aggregates

(2014) Shuhua Li et al.   ACCOUNTS OF CHEMICAL RESEARCH

Aiming for Benchmark Accuracy with the Many-Body Expansion

(2014) Ryan M. Richard et al.   ACCOUNTS OF CHEMICAL RESEARCH

Efficient and Accurate Fragmentation Methods

(2014) Spencer R. Pruitt et al.   ACCOUNTS OF CHEMICAL RESEARCH

LSQC: Low scaling quantum chemistry program

(2014) Wei Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Molecular forces, geometries, and frequencies by systematic molecular fragmentation including embedded charges

(2014) Michael A. Collins   JOURNAL OF CHEMICAL PHYSICS

Trouble with the Many-Body Expansion

(2014) John F. Ouyang et al.   Journal of Chemical Theory and Computation

Generalized Energy-Based Fragmentation CCSD(T)-F12a Method and Application to the Relative Energies of Water Clusters (H2O)20

(2014) Kedong Wang et al.   Journal of Chemical Theory and Computation

Water 26-mers Drawn from Bulk Simulations: Benchmark Binding Energies for Unprecedentedly Large Water Clusters and Assessment of the Electrostatically Embedded Three-Body and Pairwise Additive Approximations

(2014) Joachim Friedrich et al.   Journal of Physical Chemistry Letters

Linear scaling explicitly correlated MP2-F12 and ONIOM methods for the long-range interactions of the nanoscale clusters in methanol aqueous solutions

(2013) Wei Li   JOURNAL OF CHEMICAL PHYSICS

Extended Energy Divide-and-Conquer Method Based on Charge Conservation

(2013) Guo-Liang Song et al.   Journal of Chemical Theory and Computation

Electrostatically Embedded Molecular Tailoring Approach and Validation for Peptides

(2013) Miho Isegawa et al.   Journal of Chemical Theory and Computation

Dimers of Dimers (DOD): A New Fragment-Based Method Applied to Large Water Clusters

(2013) Arjun Saha et al.   Journal of Chemical Theory and Computation

Many-Body Expansion with Overlapping Fragments: Analysis of Two Approaches

(2013) Ryan M. Richard et al.   Journal of Chemical Theory and Computation

Water 16-mers and Hexamers: Assessment of the Three-Body and Electrostatically Embedded Many-Body Approximations of the Correlation Energy or the Nonlocal Energy As Ways to Include Cooperative Effects

(2013) Helena W. Qi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Generalized Energy-Based Fragmentation Approach with an Improved Fragmentation Scheme: Benchmark Results and Illustrative Applications

(2012) Shugui Hua et al.   CHEMPHYSCHEM

A generalized many-body expansion and a unified view of fragment-based methods in electronic structure theory

(2012) Ryan M. Richard et al.   JOURNAL OF CHEMICAL PHYSICS

Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules

(2012) Nicholas J. Mayhall et al.   Journal of Chemical Theory and Computation

Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular Tailoring

(2012) Jonathan P. Furtado et al.   Journal of Physical Chemistry Letters

The fragment molecular orbital and systematic molecular fragmentation methods applied to water clusters

(2012) Spencer R. Pruitt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fragmentation Methods: A Route to Accurate Calculations on Large Systems

(2011) Mark S. Gordon et al.   CHEMICAL REVIEWS

Development of a 3-body:many-body integrated fragmentation method for weakly bound clusters and application to water clusters (H2O)n= 3 − 10, 16, 17

(2011) Desiree M. Bates et al.   JOURNAL OF CHEMICAL PHYSICS

Combined Fragmentation Method: A Simple Method for Fragmentation of Large Molecules

(2011) Hai-Anh Le et al.   Journal of Chemical Theory and Computation

Screened Electrostatically Embedded Many-Body Method

(2011) Jeremy O. B. Tempkin et al.   Journal of Physical Chemistry Letters

Low-Lying Structures and Stabilities of Large Water Clusters: Investigation Based on the Combination of the AMOEBA Potential and Generalized Energy-Based Fragmentation Approach

(2010) Zhen Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large Molecules

(2010) Shugui Hua et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Multilevel Fragment-Based Approach (MFBA): A Novel Hybrid Computational Method for the Study of Large Molecules

(2009) Jan Řezáč et al.   Journal of Chemical Theory and Computation

Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach

(2008) Weijie Hua et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Fragmentation-Based QM/MM Simulations: Length Dependence of Chain Dynamics and Hydrogen Bonding of Polyethylene Oxide and Polyethylene in Aqueous Solutions

(2008) Hui Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evaluation of the Electrostatically Embedded Many-Body Expansion and the Electrostatically Embedded Many-Body Expansion of the Correlation Energy by Application to Low-Lying Water Hexamers

(2007) Erin E. Dahlke et al.   Journal of Chemical Theory and Computation