JuLib | Articles & more - {"Quanten-Theorie der Materialien; PGI-1"}

Density functional theory

Helbig, Nicole
2017

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

2

Conditions for describing triplet states in reduced density matrix functional theory

Theophilou, Iris
2017

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

3

Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory

Theophilou, Iris
2016

Journal of chemical theory and computation, 12 (2016) 6, S. 2668 - 2678

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
Restricted Restricted OpenAccess OpenAccess

4

Spin and pure state N-representability constraints in reduced density matrix functional theory

Helbig, Nicole
2016

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

5

Generalized Pauli constraints in reduced density matrix functional theory

Helbig, Nicole
2016

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

6

Physical Meaning of natural orbitals and natural occupation numbers

Helbig, Nicole
2016

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

7

Introduction to Spin-Density-Functional Theory

Helbig, Nicole
2015

2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

8

Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?

Theophilou, Iris
2015

The @journal of chemical physics, 143 (2015) 5, S. 054106

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

9

Local reduced-density-matrix-functional theory: Incorporating static correlation effects into density functional theory

Helbig, Nicole
2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

10

Rabi oscillations in time-dependent density functional theory

Helbig, Nicole
2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

11

Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations

Helbig, Nicole
2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

12

Generalized Pauli constraints in reduced density matrix functional theory

Theophilou, Iris
2015

The @journal of chemical physics, 142 (2015) 15, S. 154108

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

13

Pure state N-representability conditions: Should they be taken into account in Reduced density matrix functional theory?

Theophilou, Iris
2015

2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

14

Contribution to a book

Time-dependent density-functional theory

Helbig, Nicole
2014

2014

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

15

Contribution to a book

Describing many - electron systems

Wortmann, Daniel
2014

2014

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

16

Time-dependent density functional theory

Helbig, Nicole
2014

2014

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

17

Describing many-electron systems

Wortmann, Daniel
2014

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

18

Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations

Lathiotakis, Nektarios N.
2014

Physical Review A Physical review / A, 90 90 (2014 2014) 3 3, S. 032511 032511

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess

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Quasi-particle energy spectra in local reduced density matrix functional theory

Lathiotakis, Nektarios N.
2014

The @journal of chemical physics, 141 (2014) 16, S. 164120

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess

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