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Related papers: Ground state of Li and Be$^+$ using explicitly cor…

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Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…

Atomic Physics · Physics 2009-11-07 Charles Schwartz

Highly accurate nonrelativistic ground-state wave function and energy of the lithium atom is obtained in the Hylleraas basis set. The leading relativistic corrections,as represented by Breit-Pauli Hamiltonian, are obtained in fair agreement…

Atomic Physics · Physics 2009-11-11 Mariusz Puchalski , Krzysztof Pachucki

We formulate the calculation of the ground-state wavefunction and energy of a system of strongly correlated electrons in terms of scattering matrices. A hierarchy of approximations is introduced which results in an incremental expansion of…

Condensed Matter · Physics 2009-10-31 P. Fulde , H. Stoll , K. Kladko

The leading relativistic and QED corrections to the ground state energy of the three-body system (epe) are calculated numerically using a Hylleraas correlated basis set. The accuracy of the nonrelativistic variational ground state wave…

Atomic Physics · Physics 2007-05-23 M. Grigorescu , G. W. F. Drake

The total energies of twenty eight bound S-, P-, D-, F-, G-, H-, and I-states in the three-electron systems Li atom and Be+ ion, respectively, are determined with the use of the Configuration Interaction (CI) with Slater orbitals and L-S…

Atomic Physics · Physics 2013-08-09 Maria Belen Ruiz , Johannes T. Margraf , Alexei M. Frolov

We calculate the ground state energies of a system of two dipolar fermions trapped in a harmonic oscillator potential. The dipoles are assumed to be aligned parallel to each other. We perform the calculations of ground state energy as a…

Atomic and Molecular Clusters · Physics 2014-10-09 Amit K. Das , Arup Banerjee

Recently reported computations have been extended to give ten more decimals of accuracy in the ground state energy of the Schrodinger equation for the idealized Helium atom. With the F basis - Hylleraas coordinates with negative powers and…

Mathematical Physics · Physics 2007-05-23 Charles Schwartz

Density functional calculations are performed for ground [He]2s$^2$ $^1$S$^e$, and three metastable bound excited states, 1s2s2p$^2$ $^5$P$^e$, 1s2p$^3$ $^5$S$^o$, 1s2s2p3p $^5$P$^e$ of Li$^-$ and [He]2s2p$^2$ $^4$P$^e$, [He]2p$^3$…

Chemical Physics · Physics 2015-05-18 Amlan K. Roy , Abraham F. Jalbout

Several ultra-compact accurate wave functions in the form of generalized Hylleraas-Kinoshita functions and Guevara-Harris-Turbiner functions, which describe the domain of applicability of the Quantum Mechanics of Coulomb Charges (QMCC), or,…

Atomic Physics · Physics 2021-08-04 A. V. Turbiner , J. C. Lopez Vieyra , J. C. del Valle , D. J. Nader

The polarizabilities and hyperpolarizabilities of the Be$^+$ ion in the $2^2S$ state and the $2^2P$ state are determined. Calculations are performed using two independent methods: i) variationally determined wave functions using Hylleraas…

Atomic Physics · Physics 2009-10-21 Li-Yan Tang , Jun-Yi Zhang , Zong-Chao Yan , Ting-Yun Shi , James F. Babb , J. Mitroy

The description of the properties of liquid Helium is a challenge for any microscopic many-body theory. In this context, we study the ground state and the excitation spectrum of one $^3$He impurity in liquid $^4$He at T=0 with the aim of…

Condensed Matter · Physics 2016-11-23 A. Polls , A. Fabrocini

Accurate results for nonrelativistic energy, relativistic, QED, and finite nuclear mass corrections are obtained for $2^1S_{1/2}$, $3^1S_{1/2}$ and $2^1P_{1/2}$ states of the Li atom and Be$^+$ ion. Our computational approach uses the…

Atomic Physics · Physics 2009-11-13 Mariusz Puchalski , Krzysztof Pachucki

The helium ground state nonrelativistic energy with 24 significant digits is presented. The calculations are based on variational expansion with randomly chosen exponents. This data can be used as a benchmark for other approaches for many…

Atomic Physics · Physics 2009-11-07 Vladimir I. Korobov

The Hilbert space for an interacting electron system increases exponentially with electron number $N$. This limits the concept of wavefunctions $\psi$ based on solutions of the Schr\"odinger equation to $N \leq N_0$ with $N_0 \simeq 10^3$…

Chemical Physics · Physics 2020-05-13 Peter Fulde

In the framework of the study of helium-like atomic systems possessing the collinear configuration, we propose a simple method for computing compact but very accurate wave functions describing the relevant $S$ state. It is worth noting that…

Atomic Physics · Physics 2021-05-13 Evgeny Z. Liverts , Nir Barnea

A trial function is presented for the $H_2$ molecule which provides the most accurate (the lowest) Bohr-Oppenheimer ground state energy among few-parametric trial functions (with $\leq 14$ parameters). It includes the electronic correlation…

Atomic Physics · Physics 2007-05-23 A. V. Turbiner , N. L. Guevara

We have calculated the ground state spectroscopic constants and the molecular properties, of a molecular ion BeLi + , such as dipole moment, quadrupole moment and dipole polarizability at different levels of correlation: many-body…

Atomic Physics · Physics 2018-08-24 Renu Bala , H. S. Nataraj

Taking the same trial wave function, the ground-state energy of Fr\"{o}hlich polaron is investigated by variational method and coherent-state expansion (CSE) one, respectively. Within the accuracy to $\alpha^{2}$(the electron-phonon…

Other Condensed Matter · Physics 2007-05-23 Qing Chen , Ke-Lin Wang , Yi Wang

Hylleraas-Configuration Interaction (Hy-CI) calculations on the ground $1^1$S state of helium atom are presented using s-, p-, d-, and f-Slater orbitals of both real and complex form. Techniques of construction of adapted configurations,…

Atomic Physics · Physics 2016-01-29 Maria Belen Ruiz

The four-site Hubbard model is considered from the exact diagonalisation and variational method points of view. It is shown that the exact ground-state can be recovered by a symmetry projected Slater determinant, irrespective of the…

Strongly Correlated Electrons · Physics 2015-10-20 A. Leprévost , O. Juillet , R. Frésard
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