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The Journal of Chemical Physics|April 15, 2019
Machine learning modeling of Wigner intracule functionals for two electrons in one-dimensionRutvij Bhavsar, Raghunathan RamakrishnanThe Journal of Chemical Physics|March 9, 2021
Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulationsRaghunathan RamakrishnanThe Journal of Chemical Physics|April 24, 2015
Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximationsRaghunathan Ramakrishnan, Guntram RauhutSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 8, 2013
Vibrational energy levels of difluorodioxirane computed with variational and perturbative methods from a hybrid force fieldRaghunathan Ramakrishnan, Tucker CarringtonJournal of Computational Chemistry|September 18, 2025
Leveraging the Bias-Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet-Triplet Gap Predictions: A Case for Double-Hybrid DFTAtreyee Majumdar, Raghunathan RamakrishnanThe Journal of Chemical Physics|December 21, 2023
Bandgaps of long-period polytypes of IV, IV-IV, and III-V semiconductors estimated with an Ising-type additivity modelRaghunathan Ramakrishnan, Shruti JainThe Journal of Chemical Physics|February 16, 2021
High-throughput design of Peierls and charge density wave phases in Q1D organometallic materialsPrakriti Kayastha, Raghunathan RamakrishnanChemistry (Weinheim an Der Bergstrasse, Germany)|February 5, 2026
Insights Into Symmetry and Substitution Patterns Governing Singlet-Triplet Energy Gap in the Chemical Space of AzaphenalenesAtreyee Majumdar, Raghunathan RamakrishnanThe Journal of Chemical Physics|January 23, 2026
Enhancing NMR shielding predictions of atoms-in-molecules machine learning models with neighborhood-informed representationsSurajit Das, Raghunathan RamakrishnanPhysical Chemistry Chemical Physics : PCCP|May 14, 2024
Resilience of Hund's rule in the chemical space of small organic moleculesAtreyee Majumdar, Raghunathan RamakrishnanPageof 4