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Hrant P Hratchian

22PUBLICATIONS

29CO-AUTHORS

Condensed matter modelling and density functional theorySynchrotronsComputer aided designOrganic semiconductorsLasers and quantum electronics

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Publications (22)

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|Jan 12, 2026

Excitation/Relaxation Analysis of Electronic Transitions Using Difference Density Natural Orbitals.

Andrew J Bovill, Ali Abou Taka, Hassan Harb

|Dec 03, 2025

Exploring Anomalous Photoelectron Angular Distributions in the Photoelectron Spectra of Gd<sub>3</sub>O<sub>3</sub><sup>-</sup>: Study of Gd<sub>3</sub>O<sub>2</sub><sup>-</sup> and Gd<sub>3</sub>O<sub>3</sub><sup>-</sup> Using Photoelectron Spectroscopy and Density Functional Theory Calculations.

Caleb D Huizenga, Shivangi Vaish, Christian Dwyer

|Oct 27, 2025

Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries.

Aleksandr V Marenich, Edward N Brothers, Hrant P Hratchian

|May 19, 2025

Quantifying Design Principles for Light-Emitting Materials with Inverted Singlet-Triplet Energy Gaps.

Varun Rishi, Ali Abou Taka, Hrant P Hratchian

|Feb 10, 2025

Photoelectron-remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events.

Adam M Kinyua, Hrant P Hratchian, Caroline C Jarrold

|Jul 31, 2024

Electronic Structures of Small Stoichiometric Zn<i></i>O<i></i> Clusters.

Shivangi Vaish, Abigail O Gyamfi, Caleb D Huizenga

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Frequent Collaborators

8 joint publications

Caroline Chick Jarrold

6 joint publications

Ali Abou Taka

3 joint publications

Lee M Thompson

2 joint publications

James C Fettinger

2 joint publications

Ryan D Baxter

2 joint publications

Abdulrahman Y Zamani

1 joint publications

Benjamin J Stokes

1 joint publications

Aurora Pribram-Jones

1 joint publications

Liang Shi

1 joint publications

Christine M Isborn

Frequent Collaborators

8 joint publications

Caroline Chick Jarrold

6 joint publications

Ali Abou Taka

3 joint publications

Lee M Thompson

2 joint publications

James C Fettinger

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