Exponentially generated wave functions and excited states of benzene

1987 ◽  
Vol 71 (2-3) ◽  
pp. 201-229 ◽  
Author(s):  
Hiroshi Nakatsuji
Author(s):  
Lucas Happ ◽  
Matthias Zimmermann ◽  
Maxim A Efremov

Abstract We study a heavy-heavy-light three-body system confined to one space dimension in the regime where an excited state in the heavy-light subsystems becomes weakly bound. The associated two-body system is characterized by (i) the structure of the weakly-bound excited heavy-light state and (ii) the presence of deeply-bound heavy-light states. The consequences of these aspects for the behavior of the three-body system are analyzed. We find a strong indication for universal behavior of both three-body binding energies and wave functions for different weakly-bound excited states in the heavy-light subsystems.


2016 ◽  
Vol 71 (3) ◽  
pp. 195-212
Author(s):  
H. Dieter Zeh

AbstractThis is an attempt of a non-technical but conceptually consistent presentation of quantum theory in a historical context. While the first part is written for a general readership, Section 5 may appear a bit provocative to some quantum physicists. I argue that the single-particle wave functions of quantum mechanics have to be correctly interpreted as field modes that are “occupied once” (i.e. first excited states of the corresponding quantum oscillators in the case of boson fields). Multiple excitations lead to apparent many-particle wave functions, while the quantum states proper are defined by wave function(al)s on the “configuration” space of fundamental fields, or on another, as yet elusive, fundamental local basis.


A method is developed for the solution of the wave equation for two electrons in the presence of two centres. The work of Lennard-Jones & Pople (1951) on the ground state of such a system is generalized so as to apply to all the excited states. Full advantage is taken of the symmetry properties of the wave functions, both in three-dimensional and six-dimensional space, to reduce the wave equation to a number of component parts, each of a particular symmetry type. This leads to sets of equations with characteristic symmetry properties appropriate to singlet states and triplet states, whether even or odd, positive or negative in the standard notation ( 1 ∑ - g ).


2002 ◽  
Vol 09 (02) ◽  
pp. 1161-1166 ◽  
Author(s):  
R. KRIVEC ◽  
M. YA. AMUSIA ◽  
V. B. MANDELZWEIG

Several cross sections of two-electron processes at high but nonrelativistic photon energies ω are considered, which are expressed solely via the initial state wave function of the ionized two-electron object. The new high precision and locally correct nonvariational wave functions describing the ground and several lowest excited states of H -, He and helium-like ions are used in calculations of different cross sections in the pure dipole approximation and with account of first order corrections in ω/c2, and a number of the cross sections' ratios. The dependencies of all these quantities on the nuclear charge Z and the principal quantum number n (for 1 < n < 5) of the initial state excitation are studied.


1952 ◽  
Vol 48 (3) ◽  
pp. 511-515 ◽  
Author(s):  
Brahmananda Mishra

In the course of some calculations on the lifetimes of excited states of mercury and potassium(9) and photo-ionization of excited potassium, wave functions were derived for various excited states of these atoms. Tables of these wave functions are presented in this paper.


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