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Review

2018

Review

2018

CO2 hydrogenation to hydrocarbons is a promising way of making waste to wealth and energy storage, which also solves the… Expand

Review

2018

Review

2018

The Skyrme effective interaction, with its multitude of parameterisations, along with its implemen- tation using the static and… Expand

Review

2018

Review

2018

Abstract The coupling of lattice dynamics and phonon transport methodologies with density functional theory has become a powerful… Expand

Highly Cited

2000

Highly Cited

2000

"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive… Expand

Highly Cited

1998

Highly Cited

1998

Introductory Material: Brief Introduction to Density Functional Theory J.F. Dobson, M.P. Das. Digging Into the Exchange… Expand

Highly Cited

1996

Highly Cited

1996

Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density… Expand

Highly Cited

1996

Highly Cited

1996

Time dependent density functional methods are applied in the adiabatic approximation to compute low-lying electronic excitations… Expand

Highly Cited

1996

Highly Cited

1996

Scaling factors for obtaining fundamental vibrational frequencies, low-frequency vibrations, zero-point vibrational energies… Expand

Highly Cited

1994

Highly Cited

1994

Abstract : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral… Expand

Highly Cited

1991

Highly Cited

1991

Density functional theory is a rapidly developing branch of many-particle physics that has found applications in atomic… Expand