Absolutely Localized Multi-reference DFT Embedding

Dhabih Chulhai , Jason Goodpaster , Daniel Graham , Xuelan Wen
Bulletin of the American Physical Society

2020
The origin of relative intensity fluctuations in single-molecule tip-enhanced Raman spectroscopy.

Matthew. D. Sonntag , Dhabih Chulhai , Tamar Seideman , Lasse Jensen
Journal of the American Chemical Society 135 ( 45) 17187 -17192

108
2013
Intramolecular insight into adsorbate-substrate interactions via low-temperature, ultrahigh-vacuum tip-enhanced Raman spectroscopy

Jordan M. Klingsporn , Nan Jiang , Eric A. Pozzi , Matthew D. Sonntag
Journal of the American Chemical Society 136 ( 10) 3881 -3887

94
2014
Absolutely Localized Open-shell WF-in-DFT Huzinaga Embedding

Daniel Graham , Xuelan Wen , Dhabih Chulhai , Jason Goodpaster
APS March Meeting Abstracts 2021 J20. 001 -J20. 001

2021
Quantum embedding for excited states in molecules and solid states: A state-averaged approach

Xuelan Wen , Dhabih Chulhai , Jason Goodpaster
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257

2019
Quantum embedding for excited states in molecular and periodic systems

Xuelan Wen , Dhabih Chulhai , Jason Goodpaster
APS March Meeting Abstracts 2019 H20. 002 -H20. 002

2019
Projection-based quantum embedding for molecular and periodic systems

Dhabih Chulhai , Jason Goodpaster
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254

2017
Revisiting the basis of the excited states for solvated fluorinated benzenes and pentafluorophenylalanine

Jeonghee Kang , Dhabih Chulhai , Jong I Lee , Adam Profit
Results in Chemistry 100770 -100770

2023
Atomistic electrodynamic-quantum mechanical approaches for simulating surface-enhanced hyper-Raman scattering: Theory and application

Zhongwei Hu , Dhabih Chulhai , Lasse Jensen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253

2017
ADF2016, SCM. 2016; Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands

E. J. Baerends , T. Ziegler , A. J. Atkins , J. Autschbach

1,076
2016
Atomistic Characterization of Plasmonic Dimers in the Quantum Size Regime

Dhabih V. Chulhai , Lasse Jensen , Pengchong Liu
The Journal of Physical Chemistry

2019
Molecular-Resolution Interrogation of a Porphyrin Monolayer by Ultrahigh Vacuum Tip-Enhanced Raman and Fluorescence Spectroscopy.

Naihao Chiang , Nan Jiang , Dhabih V. Chulhai , Eric A. Pozzi
Nano Letters 15 ( 6) 4114 -4120

60
2015
Toward Monitoring Electrochemical Reactions with Dual-Wavelength SERS: Characterization of Rhodamine 6G (R6G) Neutral Radical Species and Covalent Tethering of R6G to Silver Nanoparticles

Stephanie Zaleski , M. Fernanda Cardinal , Dhabih V. Chulhai , Andrew J. Wilson
Journal of Physical Chemistry C 120 ( 43) 24982 -24991

38
2016
Plasmon-Mediated Intramolecular Methyl Migration with Nanoscale Spatial Control.

James L. Brooks , Christopher L. Warkentin , Dhabih V. Chulhai , Jason D. Goodpaster
ACS Nano 14 ( 12) 17194 -17202

1
2020
Simulating Surface-Enhanced Raman Optical Activity Using Atomistic Electrodynamics-Quantum Mechanical Models

Dhabih V. Chulhai , Lasse Jensen
Journal of Physical Chemistry A 118 ( 39) 9069 -9079

15
2014
External orthogonality in subsystem time-dependent density functional theory.

Dhabih V. Chulhai , Lasse Jensen
Physical Chemistry Chemical Physics 18 ( 31) 21032 -21039

18
2016
Simulating Surface-Enhanced Hyper-Raman Scattering Using Atomistic Electrodynamics-Quantum Mechanical Models.

Zhongwei Hu , Dhabih V. Chulhai , Lasse Jensen
Journal of Chemical Theory and Computation 12 ( 12) 5968 -5978

8
2016
Frozen Density Embedding with External Orthogonality in Delocalized Covalent Systems

Dhabih V. Chulhai , Lasse Jensen
Journal of Chemical Theory and Computation 11 ( 7) 3080 -3088

14
2015
Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization

Dhabih V. Chulhai , Jason D. Goodpaster
Journal of Chemical Theory and Computation 13 ( 4) 1503 -1508

23
2017
Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling

Michael Mattei , Gyeongwon Kang , Guillaume Goubert , Dhabih V. Chulhai
Nano Letters 17 ( 1) 590 -596

43
2017