Quantum interference effects elucidate triplet-pair formation dynamics in intramolecular singlet-fission molecules KR Parenti, R Chesler, G He, P Bhattacharyya, B Xiao, H Huang, ... Nature Chemistry 15 (3), 339-346, 2023 | 18 | 2023 |
Crystal growth, exfoliation, and magnetic properties of quaternary quasi-two-dimensional S Selter, KK Bestha, P Bhattacharyya, B Özer, Y Shemerliuk, M Roslova, ... Physical Review Materials 7 (3), 033402, 2023 | 8 | 2023 |
Pariser-Parr-Pople Model based Configuration-Interaction Study of Linear Optical Absorption in Lower-Symmetry Polycyclic Aromatic Hydrocarbon Molecules P Bhattacharyya, DK Rai, A Shukla The Journal of Physical Chemistry C 124 (26), 14297-14305, 2020 | 6 | 2020 |
Systematic First-Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si2H2n (n = 1–3) P Bhattacharyya, DK Rai, A Shukla The Journal of Physical Chemistry A 123 (40), 8619-8631, 2019 | 6 | 2019 |
Why Does a B12H12 Icosahedron Need Two Electrons to be Stable: A First-Principles Electron-Correlated Investigation of B12Hn (n = 6, 12) Clusters P Bhattacharyya, I Boustani, A Shukla The Journal of Physical Chemistry A 125 (51), 10734-10741, 2021 | 5 | 2021 |
Molecular switching operation in gate constricted interface of MoS2 and hBN heterostructure R Tripathi, P Bhattacharyya, S Nandi, A Shukla, A Misra Applied Materials Today 23, 100999, 2021 | 5 | 2021 |
Effect of Oxygen Adsorption on Electrical and Thermoelectrical Properties of Monolayer S Deb, P Bhattacharyya, P Chakrabarti, H Chakraborti, KD Gupta, ... Physical Review Applied 14 (3), 034030, 2020 | 5 | 2020 |
First principles study of structural and optical properties of B12 isomers P Bhattacharyya, I Boustani, A Shukla Journal of Physics and Chemistry of Solids 133, 108-116, 2019 | 5 | 2019 |
NaRuO2: Kitaev-Heisenberg exchange in triangular-lattice setting P Bhattacharyya, NA Bogdanov, S Nishimoto, SD Wilson, L Hozoi npj Quantum Materials 8 (1), 52, 2023 | 4 | 2023 |
Influence of edge functionalization on electronic and optical properties of armchair phosphorene nanoribbons: a first-principles study P Bhattacharyya, R Chaudhari, N Alaal, T Rana, A Shukla Electronic Structure 2 (2), 025001, 2020 | 4 | 2020 |
Resonating holes vs molecular spin-orbit coupled states in group-5 lacunar spinels T Petersen, P Bhattacharyya, UK Rößler, L Hozoi Nature Communications 14 (1), 5218, 2023 | 3 | 2023 |
Electronic and structural properties of RbCeX (X : O , S , SeS, Se , TeSe, Te ) BR Ortizy, MM Bordelon, P Bhattacharyya, G Pokharel, PM Sarte, ... Phys. Rev. Materials 6 (8), 084402, 2022 | 3 | 2022 |
Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters V Mahamiya, P Bhattacharyya, A Shukla ACS Omega 7 (51), 48261-48271, 2022 | 2 | 2022 |
Crystal-field effects competing with spin-orbit interactions in NaCeO P Bhattacharyya, UK Rößler, L Hozoi Phys. Rev. B 105, 115136, 2022 | 2 | 2022 |
Crystal Growth, Exfoliation and Magnetic Phase Diagram of Quaternary Quasi-Two-Dimensional CuCrPS S Selter, Y Shemerliuk, KK Bestha, LT Corredor, B Özer, L Veyrat, ... arXiv preprint arXiv:2112.02590, 2021 | 2 | 2021 |
Role of Defect-Induced Interfacial States in Molecular Sensing: Ultrahigh-Sensitivity Region for Molecular Interaction R Tripathi, P Bhattacharyya, A Shukla, A Misra Physical Review Applied 14 (5), 054014, 2020 | 2 | 2020 |
A theoretical study of ferrocene based on combined configuration interaction singles (CIS) and time-dependent density functional theory (TDDFT) approach R Trivedi, P Bhattacharyya Physica Scripta 99 (1), 015929, 2023 | 1 | 2023 |
Spin-orbit-lattice entangled state in AMgReO (A = Ca, Sr, Ba) revealed by resonant inelastic X-ray scattering FI Frontini, GHJ Johnstone, N Iwahara, P Bhattacharyya, NA Bogdanov, ... arXiv preprint arXiv:2311.01621, 2023 | 1 | 2023 |
Maximized ratio and cubiclike moments in a noncubic environment in under pressure P Bhattacharyya, L Hozoi, S Nishimoto, Q Stahl, J Geck, NA Bogdanov Physical Review B 108 (16), L161107, 2023 | 1 | 2023 |
Luxuriant correlation landscape in lacunar spinels: multiconfiguration expansions in molecular-orbital basis vs resonant valence structures T Petersen, UK Rößler, L Hozoi arXiv preprint arXiv:2301.03392, 2023 | 1 | 2023 |