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21.
Time-dependent density-functional theory: concept and applications Carsten A. Ullrich

by Ullrich, Carsten A.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Orford 2013Availability: Items available for loan: NISER LIBRARY (3)Call number: 531.75 MAR-T, ... Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 MAR-T.

22.
Quantal density functional theory ii: approximation methods and applications Viraht Sahni

by Sahni, Viraht.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: London Springer 2010Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 SAH-Q.

23.
Quantal density functional theory ii: approximation methods and applications Viraht Sahni

by Sahni, Viraht.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: London Springer 2010Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 SAH-Q.

24.
Time-dependent density-functional theory: concept and applications Carsten A. Ullrich

by Ullrich, Carsten A.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Orford 2013Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 MAR-T.

25.
Density functional theory IV: Theory of chemical reactivity

by edited by Nalewajski, R.F.

Series: Topics in current chemistry. 183 Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer 1996Availability: Items available for loan: NISER LIBRARY (2)Call number: 531.75:544.18 NAL-D, ... Items available for reference: NISER LIBRARY: R (REFERENCE) (2)Call number: 531.75:544.18 NAL-D, ...

26.
Density functional theory III : Interpretation,atoms, molecules and clusters

by edited by Nalewajski, R.F.

Series: Topics in current chemistry. 182 Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer 1996Availability: No items available.

27.
Electronic structure methods for complex materials

by Ching, Wai-yim | Rulis, Paul.

Edition: 1st ed.Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: UK Oxford University Press 2012Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 CHI-E. Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 CHI-E.

28.
Electronic density functional theory: recent progress and new directions

by edited by Dobson, J.F | Vignale, G | Das, M.P.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer science 1998Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 DOB-E. Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 DOB-E.

29.
Fundamentals of time-dependent density functional theory

by Marques, M.A.L. [et al.] | Maitra, N.T | Nogueira, F.M.S | Gross, E.K.U | Rubio, A.

Series: Lecture notes in physics. 837 Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer 2011Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 MAR-F. Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 MAR-F. Not available: NISER LIBRARY: Checked out (1).

30.
Studying pauli and coulomb correlations in excited-state density functional theory

by Roy, Amit.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar NISER 2012Dissertation note: A thesis submitted in partial fulfillment of the requirements for the degree of M.Sc. M.Sc. School of Physical Sciences 2012 Availability: Items available for loan: NISER LIBRARY (1)Call number: 530.1 ROY-S.

31.
Design and application of the Meta-GGA and range-separated hybrid exchange-correlation functionals

by Patra, Bikash | Samal, Prasanjit.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 530.1 PAT-D.

32.
Self energy corrected tight-binding framework in directed hybrid orbital basis from first principles

by Hossain, Manoar | Bhattacharjee, Joydeep.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 539.1 HOS-S.

33.
N-substituted and N-unsubstituted porphyrinoids: synthesis, structure, spectroscopic characterization and applications

by Patra, Sajal Kumar | Kar, Sanjib.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 543.429.23 PAT-N.

34.
Computational studies of aromatic substitution and gas-surface reactions

by Sharma, Nishant | Lourderaj, U.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 544.72.02 SHA-C.

35.
Advance density functionals based on model exchange holes for a wide range of molecular and sold state systems

by Patra, Abhilash | Samal, Prasanjit.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 533.6.055 PAT-A.

36.
Synthesis and spectroscopic characterization of metallocorroles and porphyrins and their applications

by Mondal, Sruti | Kar, Sanjib.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2022Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 543.645.4 MON-S.

37.
Studies on linear and nonlinear optical properties of subwavelength structures

by Kumari, Anupa | Das, Ritwick.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2023Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 535 KUM-S.

38.
Defect engineering in ZnO nanostructures for optoelectronic applications

by Sikdar, Mrinal kanti | Sahoo, Pratap kumar.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2023Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 535 SIK-D.

39.
Theoretical investigation of coumarin based photosensitizers for photodynamic therapy applications

by Pati, Saswat Kumar | Biswal, Himansu Sekhar [Guide].

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2023Availability: Items available for loan: NISER LIBRARY (1)Call number: 543.42 PAT-T.

40.
Handbook of materials modeling : methods: theory and modeling

by Andreoni, Wanda [editor] | Yip, Sidney [editor].

Edition: 2nd ed.Material type: Text Text; Format: print ; Literary form: Not fiction Publication details: Switzerland: Springer Cham, 2020Online access: Table of contents Availability: Items available for loan: NISER LIBRARY (3)Call number: 620.1 -HAN, ...

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