43."Fock-space relativistic coupled-cluster calculations of clock-transition properties in Pb2+",

Palki Gakkhar, Ravi Kumar, D. Angom, and B. K. Mani,

Phys. Rev. A 110, 013119 (2024);

42."Hollow TiO2@Fe2O3 nanofiber additives using template based approach for capture-conversion of polysulfides in Lithium-sulfur batteries",

Aashish Joshi, Jyotsana Kala, Brajesh Kumar Mani, Amit Gupta,
Rajiv K. Srivastava, Bhanu Nandan,

Applied Surface Science 669, 160559 (2024);

41."Spectroscopy of the 5s5p 3P0 → 5s5d 3D1 transition of strontium using laser cooled atoms",

Kushal Patel, Palki Gakkhar, Korak Biswas, S. Sagar Maurya, Pranab Dutta, Vishal Lal, B. K. Mani, and Umakant D. Rapol,

J. Phys. B: At. Mol. Opt. Phys (Accepted);

40."Emergence of half-metallic ferromagnetism in transition metal substituted Na0.5Bi0.5TiO0.5",

Chandan Kumar Vishwakarma and B. K. Mani,

Phys. Rev. Materials 8, 024410 (2024);

39."Low Lattice Thermal Conductivity-Driven Promising Thermoelectric Figure of Merit in NaSrSb and NaBaSb Zintl Phases",

Chandan Kumar Vishwakarma, Mohd Zeeshan and B. K. Mani,

J. Phys. Chem. C, 128, 2311 (2024);

38."First-principles study of disordered half-Heusler alloys X Fe0.5 Ni0.5 Sn (X = Nb, Ta) as
thermoelectric prospects",

Mohd Zeeshan, Chandan Kumar Vishwakarma,
and B. K. Mani,

arXiv: (under review);

37."Anomalous ferromagnetism and magneto-optic Kerr effect in rare-earth substituted
Na0.5Bi0.5TiO3",

Chandan Kumar Vishwakarma and B. K. Mani,

J. Appl. Phys. 133, 225703 (2023);

36."Controlling Surface Cation Segregation in a Double Perovskite for Oxygen Reduction,
Evolution, and Transport in Energy Storage Devices",

Jyotsana Kala,
Uzma Anjum, B. K. Mani and M. Ali Haider,

Phys. Chem. Chem. Phys. 25, 22022 (2023);

35."First-principles theoretical analysis of magnetically tunable topological semimetallic
states in antiferromagnetic DyPdBi",

Anupam Bhattacharya,
Vishal Bhardwaj, Meha Bhogra, B. K. Mani, Umesh V. Waghmare, and Ratnamala Chatterjee,

Phys. Rev. B. 107, 075144 (2023);

34."Fock-space perturbed relativistic coupled-cluster theory for electric
dipole polarizability of one-valence atomic systems: Application to Al
and In",

Ravi Kumar, D. Angom, and B. K. Mani,

Phys. Rev. A. 106, 032801 (2022);

33."Low lattice thermal conductivity in Zintl phases Na2AuBi and Na2AuSb: An ab initio study",

Mohd Zeeshan, Chandan Kumar Vishwakarma, and B. K. Mani,

Phys. Rev. Mat. 6, 085404 (2022);

32."Experimental and first-principles studies on superconductivity in noncentrosymmetric La3Se4",

Moumita Naskar, Soumen Ash, Debendra Prasad Panda, Chandan Kumar Vishwakarma, Brajesh Kumar Mani, Sundaresan, and Ashok Kumar Ganguli,

Phys. Rev. B. 105, 014513 (2022);

31."Relativistic coupled-cluster calculation of the electric dipole polarizability and correlation energy of Cn, Nh+, and Og: Correlation effects from lighter to superheavy elements",

Ravi Kumar, Siddhartha Chattopadhyay, D. Angom, and B K Mani,

Phys. Rev. A 103, 062803 (2021);

30."Strain-tunable triple point Fermions in diamagnetic rare-earth half-Heusler alloys",

Anupam Bhattacharya , Vishal Bhardwaj, Brajesh K Mani, Jayanta K Dutt, and Ratnamala Chatterjee,

Sci. Rep. 11, 12029 (2021) ;

29."Strain driven emergence of topological non-triviality in YPdBi thin films",

Vishal Bhardwaj, Anupam Bhattacharya, Shivangi Srivastava, Vladimir V. Khovaylo,
Jhuma Sannigrahi, Niladri Banerjee, Brajesh K. Mani, and Ratnamala Chatterjee,

Sci. Rep. 11, 7535 (2021);

28."Fock-space relativistic coupled-cluster calculation of a hyperfine-induced 1S0-3P0 clock transition in Al+",

Ravi Kumar, S. Chattopadhyay, D. Angom, and B. K. Mani,

Phys. Rev. A 103, 022801 (2021);

27."Electric dipole polarizability of group-13 ions using perturbed relativistic coupled-cluster theory: Importance of nonlinear terms",

Ravi Kumar, S. Chattopadhyay, D. Angom, and B. K. Mani,

Phys. Rev. A 101, 012503 (2020);

26."RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN",

B. K. Mani, Siddhartha Chattopadhyay, D. Angom,

Comp. Phys. Commu. 213, 136 (2017);

25. "Nanoscale properties of PbZrO3 nanowires: phase competition for enhanced energy conversion and storage",

R. Herchig, B. K. Mani, S. Lisenkov, and I. Ponomareva,

Comput. Mater. Sci. 117, 468 (2016);

24. "Emergence of ferroelectricity in antiferroelectric nanostructures",

B. K. Mani, R. Herchig, E. Glazkova, S. Lisenkov, and I. Ponomareva

Nanotechnology 27, 195705 (2016);

23. "Highly tunable piezocaloric effect in antiferroelectric PbZrO3",

S. Lisenkov, B. K. Mani, J. Cuozzo and I. Ponomareva

Phys. Rev. B, 93, 064108 (2016);

22. "Scaling law for electrocaloric temperature change in antiferroelectrics",

S. Lisenkov, B.K. Mani, E. Glazkova, C.W. Miller and I. Ponomareva,

Sci. Rep. 6, 19590 (2016);

21. "Prediction of electromagnons in antiferromagnetic ferroelectrics from first-principles: The case of BiFeO3",

C.-M. Chang, **B. K. Mani, S. Lisenkov, and I. Ponomareva,
Ferroelectrics 494 (2016);**

20. "Electrocaloric effect in ferroelectric nanowires from atomistic simulations",

R. Herchig, C.-M. Chang, B.K. Mani, and I. Ponomareva,

Sci. Rep. 5, 17294 (2015);

19. "Critical Thickness for Antiferroelectricity in PbZrO3",

B. K. Mani, C.-M. Chang, S. Lisenkov, and I. Ponomareva

Phys. Rev. Lett. 115, 097601 (2015);

18. "Depolarizing field in ultrathin electrocalorics",

E. Glazkova, C.-M. Chang, S. Lisenkov, B. K. Mani, and I. Ponomareva,

Phys. Rev. B 92, 064101 (2015);

17. "Thermally Mediated Mechanism to Enhance Magnetoelectric Coupling in Multiferroics",

C.-M. Chang, B. K. Mani, S. Lisenkov, and I. Ponomareva,

Phys. Rev. Lett. 114, 177205 (2015);

16. "Finite-temperature properties of antiferroelectric PbZrO3 from atomistic simulations",

B. K. Mani, S. Lisenkov, and I. Ponomareva,

Phys. Rev. B 91, 134112 (2015);

15. "Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements,

S. Chattopadhyay, B. K. Mani, and D. Angom,

Phys. Rev. A 91, 052504 (2015);

14. "The role of mechanical boundary conditions in the soft mode dynamics of PbTiO3",

Kevin McCash,B. K. Mani, Ch.-M. Chang and I. Ponomareva,

J. Phys.: Condens. Matter 26, 435901 (2014);

13. "An unusual route to polarization reversal in ferroelectric ultrathin nanowires",

R. Herchig, Ch.-M. Chang, B. K. Mani and I. Ponomareva,

Appl. Phys. Lett. 105, 012907 (2014);

12. "Tailoring properties of ferroelectric ultrathin films by partial charge compensation",

E. Glazkova, Kevin McCash, C.-M. Chang, B. K. Mani and I. Ponomareva,

Appl. Phys. Lett. 104, 012909 (2014)

11. "Electric dipole polarizabilities of alkaline-earth-metal atoms from perturbed relativistic coupled-cluster theory with triples,

S. Chattopadhyay, B. K. Mani, and D. Angom,

Phys. Rev. A 89, 022506 (2014);

10. "Atomistic study of soft-mode dynamics in PbTiO3",

B. K. Mani, C.-M. Chang, and I. Ponomareva,

Phys. Rev. B 88, 064306 (2013);

09. "Multicaloric effect in ferroelectric PbTiO3 from first principles",

S. Lisenkov, B. K. Mani, C.-M. Chang, J. Almand, and I. Ponomareva,

Phys. Rev. B 87, 224101 (2013);

08. "Electric dipole polarizabilities of doubly ionized alkaline-earth-metal ions from perturbed relativistic coupled-cluster theory,

S. Chattopadhyay, B. K. Mani, and D. Angom,

Phys. Rev. A 87, 062504 (2013);

**07. "Electric dipole polarizabilities of alkali metal ions from perturbed relativistic coupled-cluster theory,
S. Chattopadhyay, B. K. Mani**, and D. Angom,

Phys. Rev. A 87, 042520 (2013);

06. "Perturbed coupled-cluster theory to calculate dipole polarizabilities of closed-shell systems: Application to Ar, Kr, Xe, and Rn,

S. Chattopadhyay, B. K. Mani, and D. Angom,

Phys. Rev. A 86, 062508 (2012);

05. "Electric dipole polarizability from perturbed relativistic coupled-cluster theory: Application to neon,

S. Chattopadhyay, B. K. Mani, and D. Angom,

Phys. Rev. A 86, 022522 (2012);

04. "Fock-space relativistic coupled-cluster calculations of two-valence atoms,

B. K. Mani and D. Angom,

Phys. Rev. A 83, 012501 (2011);

03. "Atomic properties calculated by relativistic coupled-cluster theory without truncation: Hyperfine constants of Mg+, Ca+, Sr+, and Ba+,

B. K. Mani and D. Angom,

Phys. Rev. A 81, 042514 (2010);

02. "Relativistic coupled-cluster calculations of 20Ne, 40Ar, 84Kr, and 129Xe: Correlation energies and dipole polarizabilities,

B. K. Mani, K. V. P. Latha, and D. Angom,

Phys. Rev. A 80, 062505 (2009);

01. "A Computer-Algebraic Approach to the Derivation of FeynmanGoldstone Perturbation Expansions for Open-Shell Atoms and Molecules,

S. Fritzsche, Brajesh K. Mani, and D. Angom,

Adv. Quan. Chem. 53, 177 (2008).