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Soumen Ghosh - Publications

Affiliations: 
2023- IIT Madras 
Area:
Theoretical and computational chemistry
Website:
https://sites.google.com/view/soumenchem/home
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17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Ghosh S, Bhattacharyya K. Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps. The Journal of Physical Chemistry. A. 126: 1378-1385. PMID 35147428 DOI: 10.1021/acs.jpca.1c10492  0.36
2021 Altun A, Ghosh S, Riplinger C, Neese F, Bistoni G. Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations. The Journal of Physical Chemistry. A. PMID 34730360 DOI: 10.1021/acs.jpca.1c09106  0.435
2021 Ghosh S, Neese F, Izsák R, Bistoni G. Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy. Journal of Chemical Theory and Computation. PMID 34037397 DOI: 10.1021/acs.jctc.1c00005  0.66
2020 Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, ... ... Ghosh S, et al. NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102. PMID 32414274 DOI: 10.1063/5.0004997  0.682
2019 Ghosh S, Asher JC, Gagliardi L, Cramer CJ, Govind N. A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics. The Journal of Chemical Physics. 150: 104103. PMID 30876354 DOI: 10.1063/1.5061746  0.607
2019 Verma P, Wang Y, Ghosh S, He X, Truhlar DG. Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties. The Journal of Physical Chemistry. A. PMID 30707029 DOI: 10.1021/Acs.Jpca.8B11499  0.597
2018 Ghosh S, Verma P, Cramer CJ, Gagliardi L, Truhlar DG. Combining Wave Function Methods with Density Functional Theory for Excited States. Chemical Reviews. PMID 30044618 DOI: 10.1021/Acs.Chemrev.8B00193  0.686
2018 Purvis LJ, Gu X, Ghosh S, Zhang Z, Cramer CJ, Douglas CJ. Synthesis and Characterization of Electron Deficient Asymmetrically Substituted Diarylindenotetracenes. The Journal of Organic Chemistry. PMID 29357664 DOI: 10.1021/Acs.Joc.7B02756  0.503
2017 Ghosh S, Andersen A, Gagliardi L, Cramer CJ, Govind N. Modeling Optical Spectra of Large Organic Systems using Real-Time Propagation of Semiempirical Effective Hamiltonians. Journal of Chemical Theory and Computation. PMID 28813603 DOI: 10.1021/Acs.Jctc.7B00618  0.587
2017 Ghosh S, Cramer CJ, Truhlar DG, Gagliardi L. Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems. Chemical Science. 8: 2741-2750. PMID 28553509 DOI: 10.1039/C6Sc05036K  0.688
2017 Ogden WA, Ghosh S, Bruzek MJ, McGarry KA, Balhorn L, Young V, Purvis LJ, Wegwerth SE, Zhang Z, Serratore NA, Cramer CJ, Gagliardi L, Douglas CJ. Partial Fluorination as a Strategy for Crystal Engineering of Rubrene Derivatives Crystal Growth & Design. 17: 643-658. DOI: 10.1021/Acs.Cgd.6B01497  0.555
2016 Taherinia D, Smith CE, Ghosh S, Odoh SO, Balhorn L, Gagliardi L, Cramer CJ, Frisbie CD. Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally-Assisted Polaron Tunneling. Acs Nano. PMID 27017971 DOI: 10.1021/Acsnano.5B08126  0.668
2016 Hoyer CE, Ghosh S, Truhlar DG, Gagliardi L. Multiconfiguration Pair-Density Functional Theory is as Acccurate as CASPT2 for Electronic Excitation. The Journal of Physical Chemistry Letters. PMID 26794241 DOI: 10.1021/Acs.Jpclett.5B02773  0.664
2015 Ghosh S, Sonnenberger AL, Hoyer CE, Truhlar DG, Gagliardi L. Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer. Journal of Chemical Theory and Computation. PMID 26636724 DOI: 10.1021/Acs.Jctc.5B01116  0.637
2015 Smith CE, Odoh SO, Ghosh S, Gagliardi L, Cramer CJ, Frisbie CD. Length Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires. Journal of the American Chemical Society. PMID 26575438 DOI: 10.1021/Jacs.5B07400  0.679
2015 Ghosh S, Sonnenberger AL, Hoyer CE, Truhlar DG, Gagliardi L. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer. Journal of Chemical Theory and Computation. 11: 3643-9. PMID 26574447 DOI: 10.1021/Acs.Jctc.5B00456  0.654
2013 Ghosh S, Singh SK, Tewary S, Rajaraman G. Enhancing the double exchange interaction in a mixed valence {V(III)-V(II)} pair: a theoretical perspective. Dalton Transactions (Cambridge, England : 2003). 42: 16490-3. PMID 23995539 DOI: 10.1039/C3Dt51935J  0.63
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