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Response properties in phaseless auxiliary field quantum Monte Carlo.
J Chem Phys. 2023 Nov 14;159(18):184101. doi: 10.1063/5.0171996.
J Chem Phys. 2023.
PMID: 37937933
Vibronic resonance is inadequately described by one-particle basis sets.
Sahu A, Kurian JS, Tiwari V.
Sahu A, et al. Among authors: kurian js.
J Chem Phys. 2020 Dec 14;153(22):224114. doi: 10.1063/5.0029027.
J Chem Phys. 2020.
PMID: 33317308
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Selective functionalization at N2-position of guanine in oligonucleotides via reductive amination.
Bhoge BA , Mala P , Kurian JS , Srinivasan V , Saraogi I .
Bhoge BA , et al. Among authors: kurian js.
Chem Commun (Camb). 2020 Nov 18;56(89):13832-13835. doi: 10.1039/d0cc05492e. Epub 2020 Oct 21.
Chem Commun (Camb). 2020.
PMID: 33084637
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Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals.
Kurian JS, Ye HZ, Mahajan A, Berkelbach TC, Sharma S.
Kurian JS, et al.
J Chem Theory Comput. 2024 Jan 9;20(1):134-142. doi: 10.1021/acs.jctc.3c01122. Epub 2023 Dec 19.
J Chem Theory Comput. 2024.
PMID: 38113195
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