List of works - Kenneth D. Jordan

Ab initio study of the structure and vibrational frequencies of the Grignard reagent methylmagnesium chloride

article

Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods

scientific article published on 15 October 2018

Controlling internal degrees: general discussion

scientific article published on 01 July 2019

Exotic systems: general discussion

scientific article published on 01 July 2019

Going large(r): general discussion

scientific article published on 01 July 2019

H4: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function.

scientific article published in August 2017

Implementation of analytical gradients and of a mixed real and momentum space DVR method for excess electron systems described by a self-consistent polarization model

scientific article

Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes

Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer

scientific article published on 01 July 2019

One-Dimensional Adiabatic Model Approach for Calculating Progressions in Vibrational Spectra of Ion-Water Complexes

scientific article published on 01 August 2019

Prediction of a Non-Valence Temporary Anion State of (NaCl)2

scientific article published on 16 October 2019

Prediction of a Nonvalence Temporary Anion Shape Resonance for a Model (H2O)4 System

scientific article published on 19 March 2019

Preface: Special Topic: From Quantum Mechanics to Force Fields

scientific article

Pushing resolution in frequency and time: general discussion

scientific article published on 01 July 2019

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

scientific article published on 01 May 2020

Si adatom binding and diffusion on the Si(100) surface: Comparison of ab initio, semiempirical and empirical potential results

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled HO Cation with Two-Color, IR-IR Double Resonance: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core

scientific article published on 29 October 2018

The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions

scientific article published on 01 December 2020

The vibrational predissociation spectra of the H5O2+∙RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion

scientific article published on 22 June 2005

Theoretical approaches for treating non-valence correlation-bound anions.

scientific article

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond

scientific article published on 01 November 2020

List of works by Kenneth D. Jordan

Ab initio study of the structure and vibrational frequencies of the Grignard reagent methylmagnesium chloride

Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods

Controlling internal degrees: general discussion

Exotic systems: general discussion

Going large(r): general discussion

H4: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function.

Implementation of analytical gradients and of a mixed real and momentum space DVR method for excess electron systems described by a self-consistent polarization model

Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes

Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer

One-Dimensional Adiabatic Model Approach for Calculating Progressions in Vibrational Spectra of Ion-Water Complexes

Prediction of a Non-Valence Temporary Anion State of (NaCl)2

Prediction of a Nonvalence Temporary Anion Shape Resonance for a Model (H2O)4 System

Preface: Special Topic: From Quantum Mechanics to Force Fields

Pushing resolution in frequency and time: general discussion

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

Si adatom binding and diffusion on the Si(100) surface: Comparison of ab initio, semiempirical and empirical potential results

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled HO Cation with Two-Color, IR-IR Double Resonance: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core

The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions

The vibrational predissociation spectra of the H5O2+∙RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion

Theoretical approaches for treating non-valence correlation-bound anions.

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond