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Theoretical and Computational Chemistry

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sambit kumar das

2 results in Authors: sambit kumar das

Theoretical and Computational Chemistry

Critical Benchmarking of the G4(MP2) Model, the Correlation Consistent Composite Approach and Popular Density Functional Approximations on a Probabilistically Pruned Benchmark Dataset of Formation Enthalpies

sambit kumar das, Sabyasachi Chakraborty, Raghunathan Ramakrishnan

Version 1 posted 14 July 2020

317

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Theoretical and Computational Chemistry

All Hands on Deck: Accelerating Ab Initio Thermochemistry via Wavefunction Approximations

Sambit Kumar Das, Salini Senthil, Sabyasachi Chakraborty, Raghunathan Ramakrishnan

Version 1 posted 03 May 2021

409

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