Prasanjit Samal: search on Z-Library

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1

Efficient band gap prediction of semiconductors and insulators from a semilocal exchange-correlation functional

Patra, Bikash, Jana, Subrata, Constantin, Lucian A., Samal, Prasanjit

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 801 KB

english, 2019

2

Time-independent excited-state density functional theory: study of 1s22p3(4S) and 1s22p3(2D) states of the boron isoelectronic series up to Ne5+

Harbola, Manoj K, Samal, Prasanjit

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2009

Language:

english

File:

PDF, 160 KB

english, 2009

3

Exploring foundations of time-independent density functional theory for excited states

Samal, Prasanjit, Harbola, Manoj K

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2006

Language:

english

File:

PDF, 193 KB

english, 2006

4

On the many-electron self-interaction error of the semilocal exchange hole based meta-GGA level range-separated hybrid with the B88 hybrids

Jana, Subrata, Patra, Bikash, Myneni, Hemanadhan, Samal, Prasanjit

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 657 KB

english, 2018

5

A local-density approximation for the exchange energy functional for excited states: The band-gap problem

Moshiour Rahaman, Shreemoyee Ganguly, Prasanjit Samal, Manoj Kumar Harbola, Tanusri Saha-Dasgupta, Abhijit Mookerjee

Journal:

Physica B: Condensed Matter

Year:

2009

Language:

english

File:

PDF, 268 KB

english, 2009

6

Density-to-potential map in time-independent excited-state density-functional theory

Prasanjit Samal, Manoj K. Harbola, A. Holas

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 161 KB

english, 2006

7

Erratum to ‘Density-to-potential map in time-independent excited-state density-functional theory’ [Chemical Physics Letters 419 (2006) 217–222]

Prasanjit Samal, Manoj K. Harbola, A. Holas

Journal:

Chemical Physics Letters

Year:

2006

File:

PDF, 54 KB

2006

8

Analysis of Floquet formulation of time-dependent density-functional theory

Prasanjit Samal, Manoj K. Harbola

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 270 KB

english, 2006

9

Local-density approximation for the exchange energy functional in excited-state density functional theory

Samal, Prasanjit, Harbola, Manoj K

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2005

Language:

english

File:

PDF, 163 KB

english, 2005

10

Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations

Jana, Subrata, Samal, Prasanjit

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 739 KB

english, 2017

11

[AIP COMPUTATIONAL METHODS IN MODERN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) - Heraklion, Crete (Greece) (25–30 September 2008)] AIP Conference Proceedings - Time-Independent Excited-State Density Functional Theory

Harbola, Manoj K., Shamim, Md., Samal, Prasanjit, Rahaman, Moshiour, Ganguly, Shreemoyee, Mookerjee, Abhijit, Maroulis, George, Simos, Theodore E.

Year:

2009

Language:

english

File:

PDF, 1.32 MB

english, 2009

12

Gradient approximated exchange energy functionals with improved performances for two-dimensional quantum dot systems

Jana, Subrata, Patra, Abhilash, Samal, Prasanjit

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2018

Language:

english

File:

PDF, 627 KB

english, 2018

13

Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement

Jana, Subrata, Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 547 KB

english, 2018

14

The meta-GGA level screened range-separated hybrid functional by employing short range Hartree-Fock with long-range semilocal functional

JANA, SUBRATA, Samal, Prasanjit

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 573 KB

english, 2018

15

Long-range corrected density functional through the density matrix expansion based semilocal exchange hole

Patra, Bikash, Jana, Subrata, Samal, Prasanjit

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.32 MB

english, 2018

16

A Parameter-Free Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems

Patra, Abhilash, Jana, Subrata, Samal, Prasanjit

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 660 KB

english, 2018

17

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

Patra, Abhilash, Jana, Subrata, Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 427 KB

english, 2018

18

Assessing the performance of the Tao-Mo semilocal density functional in the projector-augmented-wave method

Jana, Subrata, Patra, Abhilash, Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 451 KB

english, 2018

19

Efficient lattice constants and energy bandgaps for condensed systems from a meta-GGA level screened range-separated hybrid functional

Jana, Subrata, Patra, Abhilash, Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 438 KB

english, 2018

20

Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals

Jana, Subrata, Sharma, Kedar, Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 568 KB

english, 2018

21

Colle-Salvetti type correlation functionals for two-dimensional quantum dot systems

Patra, Abhilash, Samal, Prasanjit

Journal:

Chemical Physics Letters

Year:

2019

Language:

english

File:

PDF, 1.40 MB

english, 2019

22

Long-range screened hybrid-functional theory satisfying the local-density linear response

Jana, Subrata, Patra, Abhilash, Constantin, Lucian A., Myneni, Hemanadhan, Samal, Prasanjit

Journal:

Physical Review A

Year:

2019

Language:

english

File:

PDF, 833 KB

english, 2019

23

Colle-Salvetti type correlation functionals for two-dimensional quantum dot systems

Patra, Abhilash, Samal, Prasanjit

Journal:

Chemical Physics Letters

Year:

2019

File:

PDF, 1.40 MB

2019

24

Long-range screened hybrid-functional theory satisfying the local-density linear response

Jana, Subrata, Patra, Abhilash, Constantin, Lucian A., Myneni, Hemanadhan, Samal, Prasanjit

Journal:

Physical Review A

Year:

2019

File:

PDF, 833 KB

2019

25

Improving the performance of Tao-Mo non-empirical density functional with broader applicability in quantum chemistry and material sciences

JANA, SUBRATA, Sharma, Kedar, Samal, Prasanjit

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 1.45 MB

english, 2019

26

Laplacian free and asymptotic corrected semilocal exchange potential applied to the band gap of solids

Patra, Abhilash, Jana, Subrata, Myneni, Hemanadhan, Samal, Prasanjit

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.37 MB

english, 2019

27

Performance of Tao-Mo Semilocal Functional with r VV10 Dispersion-Correction: Influence of Different Correlation

Patra, Abhilash, Jana, Subrata, Samal, Prasanjit

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 653 KB

english, 2019

28

Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems

Singh, Rabeet, Patra, Bikash, Patra, Abhilash, Harbola, Manoj K., Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.43 MB

english, 2019

29

Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems

Singh, Rabeet, Patra, Bikash, Patra, Abhilash, Harbola, Manoj K., Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.43 MB

2019

30

Accurate water properties from an efficient ab-initio method

Jana, Subrata, Constantin, Lucian A., Samal, Prasanjit

Journal:

Journal of Chemical Theory and Computation

Year:

2020

Language:

english

File:

PDF, 1.40 MB

english, 2020

31

Semianalytical wavefunctions and KohnâSham exchange-correlation potentials for two-electron atomic systems in two-dimensions

Singh, Rabeet, Kumar, Ashish, Harbola, Manoj K, Samal, Prasanjit

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2020

File:

PDF, 790 KB

2020

32

Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems

Patra, Abhilash, Jana, Subrata, Constantin, Lucian A., Chiodo, Letizia, Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.19 MB

2020

33

Electronic band structure of layers within meta generalized gradient approximation of density functionals

Patra, Abhilash, Patra, Bikash, Constantin, Lucian A., Samal, Prasanjit

Journal:

Physical Review B

Year:

2020

File:

PDF, 611 KB

2020

34

Efficient yet accurate dispersion-corrected semilocal exchangeâcorrelation functionals for non-covalent interactions

Patra, Abhilash, Jana, Subrata, Constantin, Lucian A., Samal, Prasanjit

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.62 MB

2020

35

Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response

Jana, Subrata, Patra, Bikash, Åmiga, Szymon, Constantin, Lucian A., Samal, Prasanjit

Journal:

Physical Review B

Year:

2020

File:

PDF, 829 KB

2020

36

Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms

Jana, Subrata, Åmiga, Szymon, Constantin, Lucian A., Samal, Prasanjit

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 1.77 MB

2020