David B Williams-Young - Author - Inventaire

David B Williams-Young

educated at: University of Washington, Indiana University of Pennsylvania

occupation: researcher

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Works 1

Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response

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Articles 17

Date

Title

Authors

2022-01-16

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes

David B Williams-Young, Norm M Tubman, Jiří Brabec, Libor Veis, Sotiris Xantheas, Wibe A de Jong
2020-10-16

A Shift Selection Strategy for Parallel Shift-invert Spectrum Slicing in Symmetric Self-consistent Eigenvalue Computation

David B Williams-Young
2019-11-07

Simulating Magnetic Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory in Gauge Including Atomic Orbitals

Shichao Sun, David B Williams-Young, Xiaosong Li
2019-11-05

Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster

David B Williams-Young, Daniel R Nascimento, Eugene Deprince, Xiaosong Li
2019-04-12

An ab Initio Linear Response Method for Computing Magnetic Circular Dichroism Spectra with Nonperturbative Treatment of Magnetic Field

Shichao Sun, David B Williams-Young, Xiaosong Li
2019-04-16

Approximate Green's Function Coupled Cluster Method Employing Effective Dimension Reduction

Bo Peng, Roel Van Beeumen, Karol Kowalski, David B Williams-Young
2018-01-29

Efficient Implementation of Variation after Projection Generalized Hartree-Fock

David B Williams-Young, Alessio Petrone, Xiaosong Li
2018-03-23

A Well-Tempered Hybrid Method for Solving Challenging Time-Dependent Density Functional Theory (TDDFT) Systems

Joseph M. Kasper, David B Williams-Young, Xiaosong Li
2018-12-13

Generalized Hartree-Fock with Nonperturbative Treatment of Strong Magnetic Fields: Application to Molecular Spin Phase Transitions

Shichao Sun, David B Williams-Young, Torin F Stetina, Xiaosong Li
2017-05-24

Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route

Franco Egidi, David B Williams-Young, Alberto Baiardi, Julien Bloino, Xiaosong Li, Vincenzo Barone
2017-09-29

Model Order Reduction Algorithm for Estimating the Absorption Spectrum

Roel Van Beeumen, David B Williams-Young, Joseph M. Kasper, Xiaosong Li
2017-05-12

Ab Initio Excited-State Transient Raman Analysis

Alessio Petrone, David B Williams-Young, David B Lingerfelt, Xiaosong Li
2017-10-06

Accurate Assignments of Excited-State Resonance Raman Spectra: A Benchmark Study Combining Experiment and Theory

David B Williams-Young, Marco Caricato, Christopher G Elles
2016-10-04

Relativistic Two-Component Particle-Particle Tamm-Dancoff Approximation

David B Williams-Young, Franco Egidi
2016-10-31

Ab Initio Transient Vibrational Spectral Analysis.

Alessio Petrone, David B Lingerfelt, David B Williams-Young
2016-10-17

Accelerating Real-Time Time-Dependent Density Functional Theory with a Nonrecursive Chebyshev Expansion of the Quantum Propagator.

David B Williams-Young, Joshua J. Goings
2016-02-08

Direct ab Initio (Meta-)Surface-Hopping Dynamics.

David B Lingerfelt, David B Williams-Young, Alessio Petrone

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