Computational Atomic Structure: An MCHF ApproachCRC Press, 1 jan. 1997 - 279 sidor Computational Atomic Structure: An MCHF Approach deals with the field of computational atomic structure, specifically with the multiconfiguration Hartree-Fock (MCHF) approach and the manner in which this approach is used in modern physics. Beginning with an introduction to computational algorithms and procedures for atomic physics, the book describes the theory underlying nonrelativistic atomic structure calculations (making use of Brett-Pauli corrections for relativistic effects) and details how the MCHF atomic structure software package can be used to this end. The book concludes with a treatment of atomic properties, such as energy levels, electron affinities, transition probabilities, specific mass shift, fine structure, hyperfine-structure, and autoionization. This modern, reliable exposition of atomic structure theory proves invaluable to anyone looking to make use of the authors' MCHF atomic structure software package, which is available publicly via the Internet. |
Innehåll
Finestructure levels 7 | 7 |
Introduction 7 1 | 16 |
Index | 25 |
Exercises 5 6 | 64 |
Brillouins theorem 3 7 | 65 |
Exercises 2 3 | 87 |
Properties of MCHF wave functions 4 8 | 105 |
Acknowledgments | 129 |
B 3 The relativistic wave equation for manyelectron systems | 251 |
References i | 261 |
| 277 | |
Andra upplagor - Visa alla
Computational Atomic Structure: An MCHF Approach Charlotte Froese-Fischer,Tomas Brage,Per Jonsson Begränsad förhandsgranskning - 2022 |
Computational Atomic Structure: An MCHF Approach Charlotte Froese-Fischer,T Brage Begränsad förhandsgranskning - 1997 |
Computational Atomic Structure: An MCHF Approach Charlotte Froese-Fischer Begränsad förhandsgranskning - 2019 |
Vanliga ord och fraser
active set antisymmetric approximation atomic beryllium binding energies Breit-Pauli Brillouin's theorem chapter cm¯¹ computed configuration state function continuum contributions CONVERGENCE CRITERIA core core-valence correlation correction Coulomb coupling CSFs Default defined determined dipole eigenfunctions eigenvalue eigenvector energy expression equation example expansion coefficients fine-structure Froese Fischer GENCL Hamiltonian Hartree Hartree-Fock helium hydrogenic hyperfine included input interaction matrix ions isoelectronic isotope shift ITERATION NUMBER Lagrange multipliers levels line strength linear combination many-electron matrix elements MCHF calculation mixing coefficients non-orthogonal non-relativistic NONH normalized nuclear charge obtained off-diagonal one-electron orbitals orthogonal P(nl perturbation theory potential principal quantum r₁ radial functions relativistic relativistic shifts Rydberg constant Schrödinger equation self-consistent sequence Slater determinants solution specific mass shift spin spin-orbit structure subshell Table total energy transition energy valence correlation values variational wave function wave function expansion Z-dependence zero zero-order wave function ΔΕ
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