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Kaushik D. Nanda, Ph.D. - Publications

Affiliations: 
Chemistry University of California, Riverside, Riverside, CA, United States 
Area:
Quantum Chemistry
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16 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
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Nanda KD, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.413
2020 Nanda KD, Krylov AI. A simple molecular orbital picture of RIXS distilled from many-body damped response theory. The Journal of Chemical Physics. 152: 244118. PMID 32611000 DOI: 10.1063/5.0010295  0.332
2019 Nanda KD, Vidal ML, Faber R, Coriani S, Krylov AI. How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation. Physical Chemistry Chemical Physics : Pccp. PMID 31599295 DOI: 10.1039/C9Cp03688A  0.334
2018 Nanda KD, Krylov AI. The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach. The Journal of Chemical Physics. 149: 164109. PMID 30384698 DOI: 10.1063/1.5048627  0.372
2018 Nanda KD, Krylov AI, Gauss J. Communication: The pole structure of the dynamical polarizability tensor in equation-of-motion coupled-cluster theory. The Journal of Chemical Physics. 149: 141101. PMID 30316259 DOI: 10.1063/1.5053727  0.339
2017 Nanda KD, Krylov AI. Effect of the diradical character on static polarizabilities and two-photon absorption cross sections: A closer look with spin-flip equation-of-motion coupled-cluster singles and doubles method. The Journal of Chemical Physics. 146: 224103. PMID 29166070 DOI: 10.1063/1.4984822  0.373
2016 Heit YN, Nanda KD, Beran GJO. Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy. Chemical Science. 7: 246-255. PMID 29861980 DOI: 10.1039/C5Sc03014E  0.451
2016 Nanda KD, Krylov AI. Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism: Theory, implementation, and benchmarks. The Journal of Chemical Physics. 145: 204116. PMID 27908122 DOI: 10.1063/1.4967860  0.356
2015 Nanda KD, Krylov AI. Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks. The Journal of Chemical Physics. 142: 064118. PMID 25681898 DOI: 10.1063/1.4907715  0.366
2015 Heit YN, Nanda KD, Beran GJO. Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy Chemical Science. 7: 246-255. DOI: 10.1039/c5sc03014e  0.465
2014 Beran GJ, Wen S, Nanda K, Huang Y, Heit Y. Accurate and robust molecular crystal modeling using fragment-based electronic structure methods. Topics in Current Chemistry. 345: 59-93. PMID 24292635 DOI: 10.1007/128_2013_502  0.605
2013 Nanda KD, Beran GJO. What governs the proton ordering in ice XV? Journal of Physical Chemistry Letters. 4: 3165-3169. DOI: 10.1021/Jz401625W  0.555
2012 Nanda KD, Beran GJ. Prediction of organic molecular crystal geometries from MP2-level fragment quantum mechanical/molecular mechanical calculations. The Journal of Chemical Physics. 137: 174106. PMID 23145716 DOI: 10.1063/1.4764063  0.607
2012 Wen S, Nanda K, Huang Y, Beran GJ. Practical quantum mechanics-based fragment methods for predicting molecular crystal properties. Physical Chemistry Chemical Physics : Pccp. 14: 7578-90. PMID 22322906 DOI: 10.1039/C2Cp23949C  0.615
2012 Gillis EA, Demireva M, Nanda K, Beran G, Williams ER, Fridgen TD. Structures and energetics of electrosprayed uracil(n)Ca2+ clusters (n = 14-4) in the gas phase. Physical Chemistry Chemical Physics : Pccp. 14: 3304-15. PMID 22139344 DOI: 10.1039/C1Cp22984B  0.533
2010 Beran GJO, Nanda K. Predicting organic crystal lattice energies with chemical accuracy Journal of Physical Chemistry Letters. 1: 3480-3487. DOI: 10.1021/Jz101383Z  0.617
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