Quantum Fluid Density Functional Theory and Chemical Reactivity Dynamics

Quantum fluid density functional theory of chemical reactivity in a two-state ensemble

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00444-3 ◽

2000 ◽

Vol 501-502 ◽

pp. 339-352 ◽

Cited By ~ 6

Author(s):

P.K. Chattaraj ◽

S. Sengupta ◽

A. Poddar

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Fluid Density ◽

Functional Theory ◽

Quantum Fluid ◽

State Ensemble ◽

Theory Of Chemical Reactivity

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Quantum fluid density functional theory of helium atom in an intense laser field

International Journal of Quantum Chemistry ◽

10.1002/qua.560410609 ◽

1992 ◽

Vol 41 (6) ◽

pp. 845-859 ◽

Cited By ~ 19

Author(s):

P. K. Chattaraj

Keyword(s):

Density Functional Theory ◽

Helium Atom ◽

Laser Field ◽

Density Functional ◽

Intense Laser ◽

Fluid Density ◽

Intense Laser Field ◽

Functional Theory ◽

Quantum Fluid

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Stripped ion-helium atom collision dynamics within a time-dependent quantum fluid density functional theory

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)67:4<251::aid-qua5>3.0.co;2-u ◽

1998 ◽

Vol 67 (4) ◽

pp. 251-271 ◽

Cited By ~ 12

Author(s):

Bijoy Kr. Dey ◽

B. M. Deb

Keyword(s):

Density Functional Theory ◽

Helium Atom ◽

Density Functional ◽

Time Dependent ◽

Fluid Density ◽

Collision Dynamics ◽

Functional Theory ◽

Quantum Fluid ◽

Atom Collision

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Electronegativity and hardness profiles of a chemical process: Comparison between quantum fluid density functional theory andab initio SCF method

Pramana ◽

10.1007/bf02848099 ◽

1995 ◽

Vol 45 (1) ◽

pp. 65-73 ◽

Cited By ~ 5

Author(s):

S Nath ◽

P K Chattaraj

Keyword(s):

Density Functional Theory ◽

Chemical Process ◽

Density Functional ◽

Fluid Density ◽

Functional Theory ◽

Quantum Fluid ◽

Process Comparison

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Quantum fluid density functional theory of time-dependent phenomena: Ion-atom collisions

Chemical Physics Letters ◽

10.1016/0009-2614(88)80329-4 ◽

1988 ◽

Vol 148 (6) ◽

pp. 550-556 ◽

Cited By ~ 23

Author(s):

B.M. Deb ◽

P.K. Chattaraj

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Fluid Density ◽

Functional Theory ◽

Quantum Fluid

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Time-dependent quantum fluid density functional theory of hydrogen molecule under intense laser fields

Journal of Chemical Sciences ◽

10.1007/s12039-007-0044-2 ◽

2007 ◽

Vol 119 (5) ◽

pp. 335-341

Author(s):

Amita Wadehra ◽

B. M. Deb

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydrogen Molecule ◽

Time Dependent ◽

Intense Laser ◽

Fluid Density ◽

Intense Laser Fields ◽

Laser Fields ◽

Functional Theory ◽

Quantum Fluid

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Dynamical deformations of the electron density in an H2 molecule under strong, oscillating magnetic fields: an application of time-dependent quantum fluid density functional theory

Molecular Physics ◽

10.1080/00268976.2016.1241906 ◽

2016 ◽

Vol 114 (23) ◽

pp. 3490-3507 ◽

Cited By ~ 3

Author(s):

Mainak Sadhukhan ◽

B. M. Deb

Keyword(s):

Density Functional Theory ◽

Magnetic Fields ◽

Electron Density ◽

Density Functional ◽

Time Dependent ◽

Fluid Density ◽

Functional Theory ◽

Quantum Fluid ◽

H2 Molecule

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Ehrenfest ‘phase-space’ trajectories and quantum chaos in He atom under strong, oscillating magnetic fields: an application of time-dependent quantum fluid density functional theory (TDQFDFT)

Molecular Physics ◽

10.1080/00268976.2017.1288277 ◽

2017 ◽

Vol 115 (7) ◽

pp. 815-824 ◽

Cited By ~ 2

Author(s):

Mainak Sadhukhan ◽

B.M. Deb

Keyword(s):

Density Functional Theory ◽

Phase Space ◽

Magnetic Fields ◽

Quantum Chaos ◽

Density Functional ◽

Time Dependent ◽

Fluid Density ◽

Functional Theory ◽

Quantum Fluid ◽

He Atom

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Quantum fluid density functional theory of time-dependent processes

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)69:3<279::aid-qua7>3.0.co;2-s ◽

1998 ◽

Vol 69 (3) ◽

pp. 279-291 ◽

Cited By ~ 12

Author(s):

P. K. Chattaraj ◽

S. Sengupta ◽

A. Poddar

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Fluid Density ◽

Functional Theory ◽

Quantum Fluid ◽

Dependent Processes

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Chemical reactivity from a conceptual density functional theory perspective

Journal of the Indian Chemical Society ◽

10.1016/j.jics.2021.100008 ◽

2021 ◽

pp. 100008

Author(s):

Ranita Pal ◽

Pratim Kumar Chattaraj

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Conceptual Density Functional Theory ◽

Functional Theory

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