M. Durga Prasad - Publications

 

1.

'An alternative definition of the electron propagator in superoperator form and its relation to linear response theory in a coupled cluster framework'

M. Durga Prasad, S. Pal and D. Mukherjee, Pramana 15, 531 (1980).

 

2.

'Use of modified propagators in many body perturbnation theory'

M. Durga Prasad, S. Pal and D. Mukherjee, J. Chem. Soc. Faraday II 78, 1743 (1982).

 

3.

'On certain correspondences among various coupled cluster theories for closed shell systems'

S. Pal, M. Durga Prasad and D. Mukherjee, Pramana, 18, 261 (1982).

 

4.

'Use of a size consistent energy functional in many electron theory for closed  shells'

S. Pal, M. Durga Prasad and D, Mukherjee, Theor. Chim. Acta, 62, 523 (1983).

 

5.

'Development of a size consistent energy functional for open shell states'

S. Pal, M. Durga Prasad and D. Mukherjee, Theor. Chim. Acta, 66, 311 (1984).

 

6.

'Some aspects of self-consistent propagator theories'

M. Durga Prasad, S. Pal and D. Mukherjee, Phys. Rev. A, 31, 1287 (1985).

 

7.

'Molecular applications of coupled cluster based linear response theory : Inner and outer valence ionization potentials of Nitrogen and Water'

S.K. Mukhopadhyay, D. Sinha, M. Durga Prasad and D. Mukherjee, Chem. Phys. Lett., 117, 437 (1985)

 

8.

'A variational coupled cluster theory for closed shells using a propagator modification procedure'

S. Pal, M. Durga Prasad and D. Mukherjee, Theor. Chim. Acta, 68, 125 (1985).

 

9.

'Molecular application of open shell coupled cluster theory for energy difference calculations: ionization and auger spectra of F2 '

D. Sinha, S.K. Mukhopadhyay, M. Durga Prasad and D. Mukherjee, Chem. Phys. Lett., 125, 213 (1986).

 

10.

'On the development of many body theories for intramolecular dynamics'

M. Durga Prasad, Proc. Ind. Acad. Sci (Chem.Sci.) 99, 61 (1987).

 

11.

'A time dependent coupled cluster method: A new approach to the calculation of molecular absorption spectra'

M. Durga Prasad, J. Chem. Phys., 88, 7005 (1988).

 

12.

'Separability problem in general many electron systems'

R. Chowdhury, D. Mukherjee and M. Durga Prasad, Lecture Notes in chemistry, 50, 1 (1989).

 

13.

'On the development of time dependent cluster expansion techniques for molecular dynamics'

M. Durga Prasad, Lecture Notes in chemistry, 50, 321 (1989).

 

14.

'Self-consistent field dynamics of a model non-adiabatic system'

M. Durga Prasad, Chem. Phys. Lett. 194, 27 (1992).

 

15.

'On the development of exponential ansatze for quantum dynamics in finite dimensional vector spaces'

G. Sree Latha and M. Durga Prasad, Theor. Chim. Acta, 86, 511 (1993).

 

16.

'Some aspects of the algebraic description of anharmonic dynamics'

G. Madhavi Sastry and M. Durga Prasad, Theor Chim. Acta, 89, 193 (1994).

 

17.

'On the calculation of expectation values and transition matrix elements by the coupled cluster method'

M. Durga Prasad, Theor. Chim. Acta , 88, 383 (1994).

 

18.

'A gaussian wave packet propagation study of non-adiabatic dynamics'

G. Madhavi Sastry and M. Durga Prasad, Proc. Indi. Acad.Sci. (Chem. Sci.), 106, 569 (1994).

 

19.

'Coupled cluster description of anharmonic molecular vibrations. Applications to O3 and SO2'

V. Nagalakshmi, V. Lakshminarayana, G. Sumithra and M. Durga Prasad, Chem. Phys. Lett., 217, 279 (1994).

 

20.

'The time-dependent coupled cluster approach to molecular photodissociation dynamics'

G. Madhavi Sastry and M. Durga Prasad, Chem. Phys. Lett., 228, 213 (1994).

 

21.

'A multi reference time-dependent coupled cluster study of the intramolecular vibrational relaxation process'

G. Sree Latha and M. Durga Prasad, Chem. Phys. Lett., 241, 215 (1995).

 

22.

'Lie-algebraic construction of time evolution operator. Application to intramolecular vibrational energy relaxation.'

G. Sree Latha and M. Durga Prasad, THEOCHEM, 361, 77 (1996).

 

23.

'Lie-algebraic structure and the coupled cluster method'

G. Sree Latha and M. Durga Prasad in S. Ramasesha and D. D. Sarma (eds.) 'Strongly correlated electron systems in chemistry : Experiment and theory', pp 32, Narosa (1996).

 

24.

'Time dependent coupled cluster approach to multi-mode vibronic dynamics'

G. Sree Latha and M. Durga Prasad, J. Chem. Phys., 105, 2972 (1996)

 

25.

'Calculation of vibrational spectral by the coupled cluster method: applications to H2S'

M. Durga Prasad, Indian J. Chem. 39A , 196 (2000)

 

26.

'Franck-Condon spectral calculations on transhydroquinone'

G.N. Patwari, S. Wategaonkar and M. Durga Prasad, Chem. Phys. Lett.. 344 , 229 (2001)

 

27.

‘Time dependent coupled cluster approach to resonance Raman excitation profiles from general anharmonic surfaces'

M. Durga Prasad, Int. J. Mol. Sci. 3, 447 (2002). (www.mdpi.org/ijms/)

 

28.

‘Self-similarity in nonclassical transmission through a Fibonacci sequence of Gaussian barriers’

V.S.C. Manga Rao, M. Durga Prasad and S. Dutta Gupta, Int. J. Modern Physics C 16, 327 (2005)

 

29.

‘The transition from bulk to nano as a phase transition’

M. G. Krishna, A.K. Kapoor, M. Durga Prasad and V. Srinivasan, Physica E 33, 359 (2006)

 

30.

‘Fock space construction of the quantum thermal flux operator’

M. Durga Prasad, THEOCHEM, 768, 159 (2007)

 

31.

‘Conformational preference of mono-substituted cyclohydronitrogens : A theoretical study'

T. K. Roy, Susanta Ghanta, Tanmoy Mondal, Banda Saritha, S. Mahapatra and M. Durga Prasad, THEOCHEM, 822, 145 (2007)

 

32.

‘Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: Convergence studies'

S. Banik, S. Pal and M. Durga Prasad, J. Chem. Phys., 129, 134111 (2008)

 

33.

‘On some strategies to design new high energy density molecules '

T. Mandal, B. Saritha, S. Ghanta, T. K. Roy, S. Mahapatra and M. Durga Prasad, THEOCHEM, 897, 42 (2008)

 

34.

‘Effective Harmonic Oscillator Description of Anharmonic Molecular Vibrations '

T. K. Roy and M. Durga Prasad, J. Chem. Sci. , 121, 805 (2009)

 

35.

‘A thermal self consistence field theory for the calculation of molecular vibrational partition functions '

T. K. Roy and M. Durga Prasad, J. Chem. Phys., 131, 114102 (2009)

 

36.

‘An experimental criterion for the nano-to-bulk phase transition'

M.G. Krishna, A.K. Kapoor, M. Durga Prasad and V. Srinivasan, Physica E :Low dimensional systems and nano structures ., 42, 1920 (2010)

 

37.

‘Calculations of Dipole Matrix Elements and expectation values by vibrational Coupled Cluster Method '

Subrata Banik, S. Pal and M. Durga Prasad, J. Chem. Theor. Comp., 6, 3198 (2010)

 

38.

‘ An Electronic structure Perspective of the Promoter Modes in Proton Transfer Reactions '

B. Saritha and M. Durga Prasad, J. Phys. Chem. A, 115, 2802 (2011)

 

39.

‘Development of a New Variational Method for Thermal Density Matrices '

T. K. Roy and M. Durga Prasad, J. Chem. Phys., 133, 214110 (2011)

 

40.

‘Variation of Kinetic Isotope Effect in multiproton Transfer Reaction '

B. Saritha and M. Durga Prasad, J. Chem. Sci., 124 209 (2012)

 

41.

‘Vibrational multi-reference coupled cluster theory in bosonic representation'

S. Banik, S. Pal, and M. Durga Prasad , J. Chem. Phys., 137 114108 (2012)

 

42.

‘On the spectral intensities of vibrational transitions in polyatomic molecules: Role of electrical and mechanical anharmonicities'

S. Banik and M. Durga Prasad, Theor. Chem Acc., 131, 1282 (2012).

 

43.

'A comparative study of independent model based methods for thermal averages'

S. Banik, T.K. Roy and M. Durga Prasad, J. Chem. Sci., 125, 1267 (2013).

 

44.

'Niels Bohr and the atomic structure'

M. Durga Prasad, Resonance, 18, 897 (2013).

 

45.

'Study of molecular vibrations by coupled cluster method : Bosonic approach'

S. Banik, S. Pal and M. Durga Prasad, Proceedings of the international conference of computational methods in sciences and engineering 2010 (ICCMSE-2010), 1642, 227 (2015).

 

46.

'Finite temperature vibronic spectra of harmonic surfaces : A time-dependent coupled cluster approach'

Ch. Sridhar Reddy and M. Durga Prasad, Molec. Phys., 113, 3023 (2015).

 

47.

'A Gaussian wave packet propagation approach to vibrationally resolved optical spectra at non-zero temperatures'

Ch. Sridhar Reddy and M. Durga Prasad, J. Phys Chem A., 120, 2583 (2016).

 

     48.

‘A comparative study of the performance of some density functionals for vibronic spectra’ 

Ch. Sridhar Reddy and M. Durga Prasad, Journal of Chemical Sciences 129, 953 (2017).

 

     49.

‘Raman spectral calculation by vibrational coupled-cluster method in bosonic representation’

 S Banik, L Ravichandran, M. Durga Prasad, Molec. Phys.,  115, 2755 (2017).


 
 
 
 
 

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