R. M. Richard

发表

Understanding the many-body expansion for large systems. II. Accuracy considerations.

Ryan M. Richard, John M. Herbert, Ka Un Lao, 2016, The Journal of chemical physics.

Increasing the computational efficiency of ab initio methods with generalized many-body expansions

R. M. Richard, 2013 .

Approaching the complete-basis limit with a truncated many-body expansion.

J. Herbert, K. Lao, R. M. Richard, 2013, The Journal of chemical physics.

Efficient Monomer-Based Quantum Chemistry Methods for Molecular and Ionic Clusters

J. Herbert, Leif D Jacobson, K. Lao, 2013 .

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

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

John M Herbert, Ryan M Richard, J. Herbert, 2013, Journal of chemical theory and computation.

NWChem: Past, present, and future.

T. Straatsma, V. Tipparaju, J. Nieplocha, 2020, The Journal of chemical physics.

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.

Jonathan M Waldrop, Edward F. Valeev, Jeffery S. Boschen, 2021, Chemical reviews.

Roadmap on electronic structure codes in the exascale era

J. Chelikowsky, D. Bowler, T. Miyazaki, 2022, Modelling and Simulation in Materials Science and Engineering.

G2, G3, and complete basis set calculations of the thermodynamic properties of cis- and trans-triazene

D. W. Ball, R. M. Richard, 2008, Journal of molecular modeling.

G2, G3, and complete basis set calculations on the thermodynamic properties of triazane

D. W. Ball, R. M. Richard, 2008, Journal of molecular modeling.

G2, G3, and complete basis set calculations of the thermodynamic properties of aminoborane, diaminoborane, and triaminoborane

D. W. Ball, R. M. Richard, 2007 .

B3LYP, G2, G3, and complete basis set calculations of the thermodynamic properties of small cyclic and chain hydroboranes

D. W. Ball, R. M. Richard, 2007 .

B3LYP calculations on the thermodynamic properties of a series of nitroxycubanes having the formula C8H8-x(NO3)(x) x=1-8.

D. W. Ball, R. M. Richard, 2009, Journal of hazardous materials.

Ab Initio Calculations on the Thermodynamic Properties of Spiropentane and its Boron-Containing Derivatives

D. W. Ball, R. M. Richard, 2008 .

Time-Dependent Density-Functional Description of the (1)La State in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise?

Ryan M. Richard, John M. Herbert, J. Herbert, 2011, Journal of chemical theory and computation.

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Daniel S. Levine, Run R. Li, K. B. Whaley, 2021, The Journal of chemical physics.

Ab initio calculations on the thermodynamic properties of azaborospiropentanes

D. W. Ball, R. M. Richard, 2008, Journal of molecular modeling.

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

John M Herbert, Ryan M Richard, J. Herbert, 2012, The Journal of chemical physics.

NWChem: Past, present, and future.

Jeffery S. Boschen, Nicholas P. Bauman, T. Straatsma, 2020, The Journal of chemical physics.

G2, G3, and complete basis set calculations of optimized geometries, vibrational frequencies, and thermodynamic properties of azatriboretidine and triazaboretidine

D. W. Ball, R. M. Richard, 2007 .

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.

Xiao Wang, Daniel G A Smith, Lori A Burns, 2017, Journal of chemical theory and computation.

Achieving the CCSD(T) Basis-Set Limit in Sizable Molecular Clusters: Counterpoise Corrections for the Many-Body Expansion.

J. Herbert, K. Lao, R. M. Richard, 2013, The journal of physical chemistry letters.

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit.

J. V. Ortiz, J. Brédas, C. Sherrill, 2016, Journal of chemical theory and computation.

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.

J. V. Ortiz, C. Sherrill, R. M. Richard, 2016, Journal of chemical theory and computation.

Ab initio calculations on the thermodynamic properties of azaspiropentanes.

D. W. Ball, R. M. Richard, 2008, The journal of physical chemistry. A.

Evaluation of Vapor Pressure and Ultra-High Vacuum Tribological Properties of Ionic Liquids

V. Koch, R. M. Richard, K. Street, 2011 .

Enthalpies of formation of nitrobuckminsterfullerenes: Extrapolation to C60(NO2)60

D. W. Ball, R. M. Richard, 2008 .

Understanding the many-body expansion for large systems. I. Precision considerations.

John M Herbert, Ka Un Lao, Ryan M Richard, 2014, The Journal of chemical physics.

Aiming for benchmark accuracy with the many-body expansion.

John M Herbert, Ka Un Lao, Ryan M Richard, 2014, Accounts of chemical research.

Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets.

J. Herbert, R. M. Richard, Z. C. Holden, 2013, The Journal of chemical physics.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Michael W. Schmidt, Shawn T. Brown, Igor Ying Zhang, 2014, Molecular Physics.

Tribological Testing and Thermal Analysis of an Alkyl Sulfate Series of Ionic Liquids for Use as Aerospace Lubricants

R. M. Richard, K. Street, W. Morales, 2012 .

G2, G3, and complete basis set calculations of the thermodynamic properties of boron-containing rings: cyclo-CH2BHNH, 1,2-, and 1,3-cyclo-C2H4BHNH

D. W. Ball, R. M. Richard, 2006 .

Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi.

C David Sherrill, Ryan M Richard, Brandon W Bakr, 2018, Journal of chemical theory and computation.