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1

General Hartree-Fock program

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1987

Language:

english

File:

PDF, 654 KB

english, 1987

2

Self-consistent-field (SCF) and multiconfiguration (MC) Hartree-Fock (HF) methods in atomic calculations: Numerical integration approaches

Charlotte Froese Fischer

Journal:

Computer Physics Reports

Year:

1986

Language:

english

File:

PDF, 4.00 MB

english, 1986

3

Advanced multiconfiguration methods for complex atoms: I. Energies and wave functions

Fischer, Charlotte Froese, Godefroid, Michel, Brage, Tomas, Jönsson, Per, Gaigalas, Gediminas

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2016

Language:

english

File:

PDF, 949 KB

english, 2016

4

The solution of Schrödinger's equation for two-electron systems by an MCHF procedure

Charlotte Froese Fischer

Journal:

Journal of Computational Physics

Year:

1973

Language:

english

File:

PDF, 1014 KB

english, 1973

5

A general multi-configuration Hartree-Fock program

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1978

Language:

english

File:

PDF, 591 KB

english, 1978

6

Integration by Cell Algorithm for Slater Integrals in a Spline Basis

Yanghui Qiu, Charlotte Froese Fischer

Journal:

Journal of Computational Physics

Year:

1999

Language:

english

File:

PDF, 147 KB

english, 1999

7

A multi-configuration Hartree-Fock program with improved stability

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1972

Language:

english

File:

PDF, 538 KB

english, 1972

8

The MCHF atomic-structure package

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 1.69 MB

english, 1991

9

Iterative solution of the Hartree-Fock equations with improved stability

Charlotte Froese Fischer

Journal:

Journal of Computational Physics

Year:

1972

Language:

english

File:

PDF, 668 KB

english, 1972

10

A general multi-configuration Hartree-Fock program

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1984

Language:

english

File:

PDF, 59 KB

english, 1984

11

A general multi-configuration Hartree-Fock program

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 1.24 MB

english, 1991

12

A B-spline Hartree–Fock program

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

2011

Language:

english

File:

PDF, 187 KB

english, 2011

13

Ab initio MCDHF calculations of electron–nucleus interactions

Bieroń, Jacek, Fischer, Charlotte Froese, Fritzsche, Stephan, Gaigalas, Gediminas, Grant, Ian P, Indelicato, Paul, Jönsson, Per, Pyykkö, Pekka

Journal:

Physica Scripta

Year:

2015

Language:

english

File:

PDF, 571 KB

english, 2015

14

A general program for computing angular integrals of the non-relativistic Hamiltonian with non-orthogonal orbitals

Alan Hibbert, Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 765 KB

english, 1991

15

A general program for computing angular integrals of the Breit-Pauli Hamiltonian

Alan Hibbert, Robert Glass, Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 967 KB

english, 1991

16

MCHF atomic-structure package: support libraries and utilities

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 464 KB

english, 1991

17

Programs for computing LS and LSJ transitions from MCHF wave functions

Charlotte Froese Fischer, Michel R. Godefroid

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 908 KB

english, 1991

18

Extension of the HF program to partially filled f-subshells

Gediminas Gaigalas, Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1996

Language:

english

File:

PDF, 409 KB

english, 1996

19

Numerical solution of general Hartree-Fock equations for atoms

Charlotte Froese Fischer

Journal:

Journal of Computational Physics

Year:

1978

Language:

english

File:

PDF, 1.12 MB

english, 1978

20

Spline methods for multiconfiguration Hartree–Fock calculations

Charlotte Froese Fischer, W. Guo, Z. Shen

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 1.02 MB

english, 1992

21

A distributed-memory implementation of the MCHF atomic structure package

Charlotte Froese Fischer, Ming Tong, Murry Bentley, Zuchang Shen, C. Ravimohan

Journal:

The Journal of Supercomputing

Year:

1994

Language:

english

File:

PDF, 965 KB

english, 1994

22

An MCHF atomic-structure package for large-scale calculations

Charlotte Froese Fischer, Georgio Tachiev, Gediminas Gaigalas, Michel R. Godefroid

Journal:

Computer Physics Communications

Year:

2007

Language:

english

File:

PDF, 258 KB

english, 2007

23

A B-spline Galerkin method for the Dirac equation

Charlotte Froese Fischer, Oleg Zatsarinny

Journal:

Computer Physics Communications

Year:

2009

Language:

english

File:

PDF, 696 KB

english, 2009

24

Evaluating the accuracy of theoretical transition data

Froese Fischer, Charlotte

Journal:

Physica Scripta

Year:

2009

Language:

english

File:

PDF, 199 KB

english, 2009

25

Average-energy-of-configuration Hartree-Fock results for the atoms helium to radon charlotte froese fischer

Charlotte Froese Fischer

Journal:

Atomic Data and Nuclear Data Tables

Year:

1972

Language:

english

File:

PDF, 7.19 MB

english, 1972

26

Reflection of a transient electromagnetic wave at a conducting surface

Wait, James R., Froese, Charlotte

Journal:

Journal of Geophysical Research

Year:

1955

Language:

english

File:

PDF, 313 KB

english, 1955

27

Some Hartree—Fock Results for Two- and Four-Electron Atomic Systems

Froese, Charlotte

Journal:

The Journal of Chemical Physics

Year:

1967

Language:

english

File:

PDF, 665 KB

english, 1967

28

Laser transition probabilities in Xe I

Dasgupta, Arati, Apruzese, J. P., Zatsarinny, Oleg, Bartschat, Klaus, Froese Fischer, Charlotte

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 91 KB

english, 2006

29

THE ORTHOGONALITY ASSUMPTION IN THE HARTREE–FOCK APPROXIMATION

Froese, Charlotte

Journal:

Canadian Journal of Physics

Year:

1967

Language:

english

File:

PDF, 208 KB

english, 1967

30

Comparison of multichannel-quantum-defect theory and multiconfiguration-Hartree-Fock wave functions for alkaline-earth atoms

Fischer, Charlotte Froese, Hansen, Jørgen E.

Journal:

Physical Review A

Year:

1981

Language:

english

File:

PDF, 119 KB

english, 1981

31

[Advances In Atomic, Molecular, and Optical Physics] Volume 55 || B-splines in variational atomic structure calculations

Froese Fischer, Charlotte

Year:

2008

Language:

english

File:

PDF, 626 KB

english, 2008

32

Breit–Pauli and Dirac–Hartree–Fock energy levels and transition probabilities in neutral argon

Irimia, Andrei, Fischer, Charlotte Froese

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2004

Language:

english

File:

PDF, 199 KB

english, 2004

33

The use of basis splines and non-orthogonal orbitals in R -matrix calculations: application to Li photoionization

Zatsarinny, Oleg, Fischer, Charlotte Froese

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2000

Language:

english

File:

PDF, 394 KB

english, 2000

34

On Solving y" = fy + g with a Boundary Condition at Infinity

Charlotte Froese

Journal:

Mathematics of Computation

Year:

1962

Language:

english

File:

PDF, 365 KB

english, 1962

35

Wave functions for the normal states of Ne+3 and Ne+4

Froese, Charlotte, Hartree, D. R.

Journal:

Mathematical Proceedings of the Cambridge Philosophical Society

Year:

1957

Language:

english

File:

PDF, 310 KB

english, 1957

36

The self-consistent field with exchange for some 10 and 12 electron systems

Froese, Charlotte, Hartree, D. R.

Journal:

Mathematical Proceedings of the Cambridge Philosophical Society

Year:

1957

Language:

english

File:

PDF, 410 KB

english, 1957

37

spectrum of

Froese Fischer, Charlotte, Godefroid, Michel R.

Journal:

Physical Review A

Year:

2019

Language:

english

File:

PDF, 245 KB

english, 2019

38

Natural orbitals in multiconfiguration calculations of hyperfine-structure parameters

Schiffmann, Sacha, Godefroid, Michel, Ekman, JÃ¶rgen, JÃ¶nsson, Per, Fischer, Charlotte Froese

Journal:

Physical Review A

Year:

2020

File:

PDF, 283 KB

2020

39

REDUCED COEFFICIENTS (SUBCOEFFICIENTS) OF FRACTIONAL PARENTAGE FORp-,d-, ANDf-SHELLS

Gediminas Gaigalas, Zenonas Rudzikas, Charlotte Froese Fischer

Journal:

Atomic Data and Nuclear Data Tables

Year:

1998

Language:

english

File:

PDF, 1.54 MB

english, 1998

40

A multi-configuration Hartree-Fock program

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1970

Language:

english

File:

PDF, 1.16 MB

english, 1970

41

The deffered difference correction for the Numerov method

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1971

Language:

english

File:

PDF, 230 KB

english, 1971

42

A critical review of programs in atomic structure for bound states

Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1973

Language:

english

File:

PDF, 631 KB

english, 1973

43

A program for performing angular integrations for transition operators

Charlotte Froese Fischer, Michel R. Godefroid, Alan Hibbert

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 656 KB

english, 1991

44

A program for computing magnetic dipole and electric quadrupole hyperfine constants from MCHF wavefunctions

Per Jönsson, Claes-Göran Wahlström, Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1993

Language:

english

File:

PDF, 905 KB

english, 1993

45

LSGEN - a program to generate configuration-state lists of LS-coupled basis functions

Lennart Sturesson, Charlotte Froese Fischer

Journal:

Computer Physics Communications

Year:

1993

Language:

english

File:

PDF, 596 KB

english, 1993

46

A program for computing autoionization properties

Charlotte Froese Fischer, Tomas Brage

Journal:

Computer Physics Communications

Year:

1993

Language:

english

File:

PDF, 1.03 MB

english, 1993

47

Iodine complexes in inert solvents: Part XIII. The system: Iodine-benzene-CCl4

P.A.D. de Maine, M.M. de Maine, Charlotte Froese

Journal:

Journal of Molecular Spectroscopy

Year:

1962

Language:

english

File:

PDF, 577 KB

english, 1962

48

Configuration maxing in the Al sequence

Charlotte Froese Fischer

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

1968

Language:

english

File:

PDF, 489 KB

english, 1968

49

Oscillator strengths for 3dn4s → 3dn4p transitions in the iron series

Charlotte Froese Fischer

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

1973

Language:

english

File:

PDF, 357 KB

english, 1973

50

Hypercube conversion of serial codes for atomic structure calculations

Murry Bentley, Charlotte Froese Fischer

Journal:

Parallel Computing

Year:

1992

Language:

english

File:

PDF, 616 KB

english, 1992