Results 131 to 140 of about 2,401,785 (234)

Calculations of single particle spectra in density functional theory [PDF]

, 2000
M. Ya. Amusia, V. R. Shaginyan
openalex   +1 more source

Functional renormalization group and Kohn–Sham scheme in density functional theory

Physics Letters B, 2018
Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional ...
Haozhao Liang, Yifei Niu, Tetsuo Hatsuda
doaj  

The Fundamentals of Density Functional Theory

, 1996
H. Eschrig
openalex   +1 more source

Theoretical X-Ray Photoelectron and Emission Spectra of C-, N-, and O-Containing Polymers by Density-Functional Theory Calculations using Model Molecules [PDF]

, 2000
S. Shimada, Tomonori Ida, Kazunaka Endo, M. Suhara, E.Z. Kurmaev, Delano P. Chong   +5 more
openalex   +1 more source

Comment on “Frequency-dependent polarizabilities, hyperpolarizabilities, and excitation energies from time-dependent density-functional theory based on the quasienergy derivative method” [J. Chem. Phys. 111, 2878 (1999)] [PDF]

, 2000
Arup Banerjee, Manoj K. Harbola
openalex   +1 more source

Generalized spin density functional theory for noncollinear molecular magnetism [PDF]

, 2000
Shusuke Yamanaka, D. Yamaki, Yasuteru Shigeta, Hirotaka Nagao, Yasunori Yoshioka, N. Suzuki, K. Yamaguchi   +6 more
openalex   +1 more source

Density-Functional Theory for the Dicke Hamiltonian. [PDF]

J Stat Phys
Bakkestuen VH, Csirik MA, Laestadius A, Penz M.   +3 more
europepmc   +1 more source

Generalized van der Waals density functional theory for nonuniform polymers [PDF]

, 2000
Chandra N. Patra, Arun Yethiraj
openalex   +1 more source

Application of Density Functional Theory to Molecular Engineering of Pharmaceutical Formulations. [PDF]

Int J Mol Sci
Guan H, Sun H, Zhao X.
europepmc   +1 more source

Time-dependent density-functional theory for strong-field multiphoton processes: Application to the study of the role of dynamical electron correlation in multiple high-order harmonic generation

, 1998
Xiao‐Min Tong, Shih‐I Chu
openalex   +2 more sources