Teacher Details
PATHAK RAJEEV KRISHNARAO
Department of Physics
| 1) | Lande, D.N., Gejji, S.P., Pathak, R.K. (2026). Exploring self-aggregation and microhydration in diversified three-membered heterocycles: 2H-Azirine. Computational and Theoretical Chemistry,
1255, 115591.
ISSN(print/online): 2210-271X/2210-2728,
URL/DOI: http://dx.doi.org/10.1016/j.comptc.2025.115591
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| 2) | Lande, D.N., Gejji, S.P., Pathak, R.K. (2024). Constructing, in silico, molecular self-aggregates and micro-hydrated complexes of oxirene and thiirene. Journal of Molecular Modeling,
30 (12), 415.
ISSN(print/online): 1610-2940/0948-5023,
URL/DOI: http://dx.doi.org/10.1007/s00894-024-06193-8
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| 3) | Gobre, V.V., Rao, S.S., Gejji, S.P., Bartolotti, L.J., Pathak, R.K. (2023). Theoretical Appraisal of Cyclopropenone: Aggregation and Complexes with Water. Journal of Physical Chemistry A,
127 (29), 6071–6080.
ISSN(print/online): 1089-5639/1520-5215,
URL/DOI: http://dx.doi.org/10.1021/acs.jpca.3c02937
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| 4) | Gobre, V.V., Gejji, S.P., Pathak, R.K. (2022). Cyclopropenylidene: Clustering and Interaction with Water Molecules. Journal of Physical Chemistry A,
126 (34), 5721–5728.
ISSN(print/online): 1089-5639/1520-5215,
URL/DOI: http://dx.doi.org/10.1021/acs.jpca.2c03903
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| 5) | Kulkarni, S., Pathak, R.K. (2021). “Striped” rectangular rigid box with Hermitian and non-Hermitian 𝓟𝓣 symmetric potentials. Journal of Mathematical Physics,
62 (10), 102102.
ISSN(print/online): 0022-2488/1089-7658,
URL/DOI: http://dx.doi.org/10.1063/5.0065899
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| 6) | Paul, M., Pathak, R.K., Pananghat, B. (2020). Rotatory Response of Molecular Electron Momentum Densities in Linear, Homogeneous Weak Electric Fields: A Topographical Analysis. Journal of Applied Geophysics,
124 (5), 943-954.
ISSN(print/online): 0926-9851/1879-1859,
URL/DOI: http://dx.doi.org/10.1021/acs.jpca.9b11356
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| 7) | Agarwal, K.S., Pathak, R.K., Joglekar, Y.N. (2018). Raising the PT-transition threshold by strong coupling to neutral chains. Physical Review A,
97 (4), 042107.
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.97.042107
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| 8) | Gurav, N.D., Gejji, S.P., Pathak, R.K. (2018). Electronic Stark Effect for a Single Molecule: Theoretical UV Response. Computational and Theoretical Chemistry,
1138, 23-38.
ISSN(print/online): 2210-271X/2210-2728,
URL/DOI: http://dx.doi.org/10.1016/j.comptc.2018.05.018
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| 9) | Gurav, N.D., Gejji, S.P., Bartolotti, L.J., Pathak, R.K. (2016). Encaged molecules in external electric fields: A molecular “tug-of-war”. Journal of Chemical Physics,
145 (7), 074302.
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.4960608
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| 10) | Agarwal, K.S., Pathak, R.K., Joglekar, Y.N. (2015). Exactly solvable PT-symmetric models in two dimensions . Europhysics Letters,
112 (3), 31003. Google Scholar Citations,
ISSN(print/online): 0295-5075/1286-4854,
URL/DOI: http://dx.doi.org/10.1209/0295-5075/112/31003
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| 11) | Gurav, N.D., Kulkarni, A.D., Gejji, S.P., Pathak, R.K. (2015). CH3OH center dot center dot center dot (H2O)(n) [n=1-4] clusters in external electric fields. Journal of Chemical Physics,
142 (21), 214309. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.4921380
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| 12) | Joglekar, Y.N., Marathe, R., Durganandini, P., Pathak, R.K. (2014). PT spectroscopy of the Rabi problem . Physical Review A,
90 (4), 40101. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.90.040101
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| 13) | Bartolotti, L.J., Rai, D., Kulkarni, A.D., Gejji, S.P., Pathak, R.K. (2014). Water clusters (H2O)n [n = 9-20] in external electric fields: Exotic OH stretching frequencies near breakdown. Computational and Theoretical Chemistry,
1044, 66-73. Google Scholar Citations,
ISSN(print/online): 2210-271X/2210-2728,
URL/DOI: http://dx.doi.org/10.1016/j.comptc.2014.06.006
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| 14) | Rai, D., Kulkarni, A.D., Gejji, S.P., Bartolotti, L.J., Pathak, R.K. (2013). Exploring electric field induced structural evolution of water clusters, (H2O) n [n = 9–20]: Density functional approach. Journal of Chemical Physics,
138 (4), 44304. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.4776214
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| 15) | Kulkarni, A.D., Rai, D., Gejji, S.P., Bartolotti, L.J., Pathak, R.K. (2013). Structuring and destructuring effects along a pathway toward formation of zwitterionic glycine···(H2O) 2 complex: many body analysis of clusters and molecular electrostatic potential investigations. International Journal of Quantum Chemistry,
113 (9), 1325-1332. Google Scholar Citations,
ISSN(print/online): 0020-7608/1097-461X,
URL/DOI: http://dx.doi.org/10.1002/qua.24287
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| 16) | Rai, D., Kulkarni, A.D., Gejji, S.P., Pathak, R.K. (2011). Methanol Clusters (CH3OH)n, n=3-6 in External Electric Fields: Density Functional Theory Approach. Journal of Chemical Physics,
135 (2), 24307. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.3605630
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Publications Before 2011 |
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| 17) | Kulkarni, A.D., Rai, D., Bartolotti, L.J., Pathak, R.K. (2009). Microsolvation of methyl hydrogen peroxide: Ab initio quantum chemical approach. Journal of Chemical Physics,
131 (5), 54310. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.3179753
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| 18) | Rai, D., Kulkarni, A.D., Gejji, S.P., Pathak, R.K. (2009). Is high electric field capable of selectively inducing a covalent-like bond between polar and non-polar molecular species?. Theoretical Chemistry Accounts,
123 (5-6), 501-511. Google Scholar Citations,
ISSN(print/online): 1432-881X/1432-2234,
URL/DOI: http://dx.doi.org/10.1007/s00214-009-0570-8
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| 19) | Rai, D., Kulkarni, A.D., Gejji, S.P., Pathak, R.K. (2008). Water clusters (H2O) n, n= 6–8, in external electric fields. Journal of Chemical Physics,
128 (3), 34310. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.2816565
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| 20) | Kulkarni, A.D., Rai, D., Bartolotti, L.J., Pathak, R.K. (2007). Methyl hydrogen peroxide dimer: A structural study. Journal of Molecular Structure: THEOCHEM,
824, 32-38. Google Scholar Citations,
ISSN(print/online): 0166-1280,
URL/DOI: http://dx.doi.org/10.1016/j.theochem.2007.08.025
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| 21) | Rai, D., Joshi, H., Kulkarni, A.D., Gejji, S.P., Pathak, R.K. (2007). Electric field effects on aromatic and aliphatic hydrocarbons: a density-functional study. Journal of Physical Chemistry A,
111 (37), 9111-9121. Google Scholar Citations,
ISSN(print/online): 1089-5639/1520-5215,
URL/DOI: http://dx.doi.org/10.1021/jp074051v
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| 22) | Kulkarni, A.D., Pathak, R.K., Bartolotti, L.J. (2006). Effect of additional hydrogen peroxide to H2O2...(H2O)n, n=1 and 2 complexes: quantum chemical study. Journal of Chemical Physics,
124 (21), 214309. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.2202098
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| 23) | Kulkarni, A.D., Rai, D., Bartolotti, L.J., Pathak, R.K. (2006). Interaction of peroxyformic acid with water molecules: A first-principles study. Journal of Physical Chemistry A,
110, 11855 -11861. Google Scholar Citations,
ISSN(print/online): 1089-5639/1520-5215,
URL/DOI: http://dx.doi.org/10.1021/jp0641536
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| 24) | Kulkarni, A.D., Pathak, R.K., Bartolotti, L.J. (2005). Structures, Energetics, and Vibrational Spectra of H2O2···(H2O)n, n = 1−6 Clusters: Ab Initio Quantum Chemical Investigations. Journal of Physical Chemistry A,
109 (20), 4583-4590. Google Scholar Citations,
ISSN(print/online): 1089-5639/1520-5215,
URL/DOI: http://dx.doi.org/10.1021/jp044545h
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| 25) | Harbola, M.K., Zope, R.R., Kshirsagar, A., Pathak, R.K. (2005). Momentum-space properties from coordinate-space electron density. Journal of Chemical Physics,
12 (20), 204110 . Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.1904588
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| 26) | Kulkarni, S.A., Bartolotti, L.J., Pathak, R.K. (2003). Ab initio investigations on neutral Hydrogen Peroxide clusters: (H2O2)n (n=2,4). Chemical Physics Letters,
372 (5-6), 620-626. Google Scholar Citations,
ISSN(print/online): 0009-2614/1873-4448,
URL/DOI: http://dx.doi.org/10.1016/S0009-2614(03)00468-8
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| 27) | Kulkarni, S.A., Pathak, R.K. (2001). Ab initio investigations on neutral clusters of ammonia: (NH3)n (n=2-6). Chemical Physics Letters,
336, 278-283. Google Scholar Citations,
ISSN(print/online): 0009-2614/1873-4448,
URL/DOI: http://dx.doi.org/10.1016/S0009-2614(01)00107-5
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| 28) | Kulkarni, S.A., Bartolotti, L.J., Pathak, R.K. (2000). Ab initio Studies of anionic water pentamer clusters. Journal of Chemical Physics,
113 (7), 2697-2700 . Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.1301497
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| 29) | Zope, R.R., Harbola, M.K., Pathak, R.K. (1999). Atomic Compton Profiles Within different “exchange-only” theories. European Physical Journal D,
7 (2), 151-155 . Google Scholar Citations,
ISSN(print/online): 1434-6060/1434-6079,
URL/DOI: http://dx.doi.org/10.1007/s100530050360
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| 30) | Baruah, T., Pathak, R.K., Kshirsagar, A. (1997). Density-functional approach to one-positron and neutral-atom bound states. Physical Review A,
55 (2), 1518-1521. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.55.1518
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| 31) | Harbola, M.K., Zope, R.R., Pathak, R.K. (1996). Total atomic energies using indirect-path methods. Physical Review A,
53 (5), 3652. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.53.3652
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| 32) | Zope, R.R., Kshirsagar, A., Pathak, R.K. (1995). Leading corrections to the compton profiles beyond the impulse approximation: second-order correction. Chemical Physics Letters,
242 (6), 555-559. Google Scholar Citations,
ISSN(print/online): 0009-2614/1873-4448,
URL/DOI: http://dx.doi.org/10.1016/0009-2614(95)00803-C
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| 33) | Pathak, R.K. (1994). Necessary condition for an atom-positron bound state. Physical Review A,
49 (6), 5100. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.49.5100
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| 34) | Baruah, T., Zope, R.R., Kshirsagar, A., Pathak, R.K. (1994). Positron binding: A positron-density viewpoint. Physical Review A,
50 (3), 2191-2196. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.50.2191
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| 35) | Gadre, S.R., Kulkarni, S.A., Pathak, R.K. (1993). Density‐based electron localization function via nonlocal density approximation. Journal of Chemical Physics,
98 (4), 3574-3576. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.464082
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| 36) | Pathak, R.K., Kshirsagar, A., Hoffmeyer, R., Thakkar, A.J. (1993). Leading corrections to atomic impulse-approximation Compton profiles: A density-functional approach. Physical Review A,
48 (4), 2946-2951. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.48.2946
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| 37) | Kulkarni, S.A., Gadre, S.R., Pathak, R.K. (1992). Topographical view of molecular electron momentum densities. Physical Review A,
45 (7), 4399. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.45.4399
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| 38) | Gadre, S.R., Kulkarni, S.A., Pathak, R.K. (1991). Reply to the comment on: Maximal and minimal characteristics of molecular electrostatic potentials: Some further extensions. Journal of Chemical Physics,
94 (12), 8639-8639. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.460055
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| 39) | Gadre, S.R., Pathak, R.K. (1990). Nonexistence of local maxima in molecular electrostatic potential maps. Proceedings of the Indian Academy of Sciences- Chemical Sciences,
102 (2), 189-192. Google Scholar Citations,
ISSN(print/online): 0253-4134,
URL/DOI: http://dx.doi.org/10.1007/BF02860157
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| 40) | Pathak, R.K., Panat, P.V. (1990). Critical indices for high-Tc superconductors. Physical Review B,
41 (7), 4749-4751. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.41.4749
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| 41) | Gadre, S.R., Pathak, R.K. (1990). Atomic and molecular diamagnetic susceptibilities from Compton scattering data. Journal of Chemical Physics,
92 (7), 4327-4330. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.457739
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| 42) | Pathak, R.K., Gadre, S.R. (1990). Maximal and minimal characteristics of molecular electrostatic potentials. Journal of Chemical Physics,
93 (3), 1770-1773. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.459703
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| 43) | Pathak, R.K., Kulkarni, S.A., Gadre, S.R. (1990). Momentum space atomic first-order density matrices and ‘‘exchange-only’’ correlation factors . Physical Review A,
42 (5), 2622. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.42.2622
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| 44) | Gadre, S.R., Kulkarni, S.R., Pathak, R.K. (1989). Rigorous bounds to molecular electron repulsion and electrostatic potential integrals. Journal of Chemical Physics,
91 (6), 3596-3602. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.456892
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| 45) | Gadre, S.R., Kulkarni, S.A., Pathak, R.K. (1989). Reduced first-order density matrices and exchange-only correlation factors for closed-shell atomic systems. Physical Review A,
40 (8), 4224. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.40.4224
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| 46) | Pathak, R.K., Gadre, S.R. (1988). Development of links between electron densities in complementary spaces. Portugalea Fisica,
19, 407.
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| 47) | Pathak, R.K., Thakkar, A.J. (1987). Very Short-Range Interatiomic Potentials . Journal of Chemical Physics,
87 (4), 2186 - 2190. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.453144
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| 48) | Levy, M., Pathak, R.K., Perdew, J.P., Siqing Wei, S. (1987). Indirect-path Method for Atomic and Molecular Energies, and New Koopmans Theorems . Physical Review A,
36 (5), 249. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.36.2491
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| 49) | Pathak, R.K., Sharma, B.S., Thakkar, A.J. (1986). Approximate relationships between density power integrals,Moments of the momentum density and interelectronic repulsions in diatomic molecules . Journal of Chemical Physics,
85 (2), 958-962 . Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.451252
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| 50) | Perdew, J.P., Sahni, V., Harbola, M., Pathak, R.K. (1986). Fourth- Order gradient expansion of the fermion kinetic energy: Extra terms for non-analytic densities . Physical Review B,
34 (2), 686-691 . Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.34.686
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| 51) | Pathak, R.K. (1985). Statistical electron angular correlation coefficients within the hohenberg - Kohn - Sham theory, for atomic systems . Physical Review A,
31 (5), 2806. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.31.2806
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| 52) | Pathak, R.K., Bartolotti, L.J. (1985). Relationships among the terms in the expansions of the kinetic- and exchange-correlation-energy density functionals. Physical Review A,
31 (6), 3557-3564 .
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.31.3557
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| 53) | Pathak, R.K. (1984). An upper bound to the exchange integral for coulomb interactions . Journal of Chemical Physics,
80 (1), 583-584 . Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.446401
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| 54) | Pathak, R.K. (1984). Bound excited states within density functional formalism: The levy functional. Physical Review A,
29 (2), 978-979. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.29.978
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| 55) | Pathak, R.K., Gejji, S.P., Gadre, S.R. (1984). From molecular electron density to electron momentum density. Physical Review A,
29 (6), 3402-3405. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.29.3402
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| 56) | Gadre, S.R., Gejji, S.P., Pathak, R.K. (1983). Electron density to electron momentum density: The use of an energy constraint. Physical Review A,
27 (6), 3328-3331. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.27.3328
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| 57) | Pathak, R.K., Gadre, S.R. (1983). Gradient-free representation of the Weizsäcker term for atoms. Physical Review A,
28 (3), 1808-1809. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.28.1808
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| 58) | Gadre, S.R., Gejji, S.P., Pathak, R.K. (1983). Direct and reverse transformations between electron density and electron momentum density :connection with the locally averaged method. Physical Review A,
28 (1), 462-463. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.28.462
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| 59) | Gadre, S.R., Charavorty, S.J., Pathak, R.K. (1983). On the monotonicity of the atomic electron momentum density and shell structure of the radial momentum density. Journal of Chemical Physics,
78 (7), 4581-4584. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.445298
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| 60) | Pathak, R.K., Panat, P.V., Gadre, S.R. (1982). Local-density-functional model for atoms in momentum space. Physical Review A,
26 (6), 3073-3077. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.26.3073
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| 61) | Gadre, S.R., Pathak, R.K. (1982). Lower bounds to the Weizsäcker correction. Physical Review A,
25 (2), 668. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.25.668
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| 62) | Pathak, R.K., Gadre, S.R. (1982). Relationships between the terms in the gradient expansion: Kinetic and exchange energy functionals. Physical Review A,
25 (6), 3426. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.25.3426
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| 63) | Gadre, S.R., Pathak, R.K. (1982). Estimation of< P> and< P− 1> from atomic electron densities: A comment. Journal of Chemical Physics,
77 (2), 1073. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.443910
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| 64) | Gadre, S.R., Pathak, R.K. (1981). Direct and reverse transformations between electron density and electron momentum density. Physical Review A,
24 (6), 2906-2912. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.24.2906
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| 65) | Pathak, R.K., Gadre, S.R. (1981). Estimation of< p≳ and< p− 1≳ from atomic electron densities. Journal of Chemical Physics,
74 (10), 5925-5926. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.440912
|
| 66) | Gadre, S.R., Pathak, R.K. (1981). On representation of Coulomb integral by one‐electron functionals. Journal of Chemical Physics,
75 (9), 4740-4741. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.442596
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