Combined theory of complete orthonormal sets of quasirelativistic and relativistic sets of wave functions, and Slater orbitals of spin -1/2 particles in position, momentum and four dimensional spaces
By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two-and four-component spinor wave functions, and Slater spinor orbitals useful in the quantum-mechanical description of the spin - 1/2 particles by the quasirelativistic and relativistic equations are established in position, momentum and four-dimensional spaces. These function sets are expressed through the corresponding nonrelativistic orbitals. The analytical formulas for overlap integrals over four component relativistic Slater spinor orbitals with the same screening constants in position space are also derived. The relations obtained in this study can be useful in the study of different problems arising in the quasirelativistic and relativistic quantum mechanics when the position, momentum and four dimensional spaces are employed.
By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two-and four-component spinor wave functions, and Slater spinor orbitals useful in the quantum-mechanical description of the spin - 1/2 particles by the quasirelativistic and relativistic equations are established in position, momentum and four-dimensional spaces. These function sets are expressed through the corresponding nonrelativistic orbitals. The analytical formulas for overlap integrals over four component relativistic Slater spinor orbitals with the same screening constants in position space are also derived. The relations obtained in this study can be useful in the study of different problems arising in the quasirelativistic and relativistic quantum mechanics when the position, momentum and four dimensional spaces are employed.
Using the complete orthonormal sets of radial parts of nonrelativitistic exponential type orbitals (2,1, 0, 1, 2, ...) and spinor type tensor spherical harmonics of rank s the new formulae for the 2(2s+1)-component relativistic spinors useful in the quantum mechanical description of the arbitrary half-integral spin particles by the generalized Dirac equation introduced by the author are established in position, momentum and four-dimensional spaces, where 1/ 2, 3 / 2, 5 / 2, ... s = . These spinors are complete without the inclusion of the continuum. The 2(2s+1)component spinors obtained are reduced to the independent sets of two-component spinors defined as a product of complete orthonormal sets of radial parts of orbitals and twocomponent spinor type tensor spherical harmonics. We notice that the new idea presented in this work is the unified treatment of half-integral spin and scalar particles in position, momentum and four-dimensional spaces. Relations presented in this study can be useful in the linear combination of atomic orbitals approximation for the solution of different problems arising in the relativistic quantum mechanics when the orthonormal basis sets of relativistic exponential type spinor wave functions and Slater type spinor orbitals in position, momentum and four -dimensional spaces are employed.
New formulae for the 2(2s + 1)-component relativistic basis spinors useful for the quantum mechanical description of the arbitrary half-integral spin particles by the generalized Dirac equation introduced by the author are established in position, momentum and four-dimensional spaces, where s = 1/2, 3/2, 5/2, . . . . These spinors are reduced to independent sets of two-component spinors. The relations presented in this study can be useful in the linear combination of atomic orbital approximation for the solution of different problems arising in relativistic quantum mechanics when orthonormal basis sets of relativistic exponential-type spinor wave functions and Slater-type spinor orbitals in position, momentum and four-dimensional spaces are employed.
In order to calculate the average value of a physical quantity containing also many-particle interactions in a system of N antisymmetric particles, a set of generalized density matrices are defined. In order to permit the investigation of the same physical situation in two complementary spaces, the Hermitean density matrix of order k has two sets of indices of each k variables, and it is further antisymmetric in each set of these indices.Every normalizable antisymmetric wave function may be expanded in a series of determinants of order N over all ordered configurations formed from a basic complete set of one-particle functions ${\ensuremath{\psi}}_{k}$, which gives a representation of the wave function and its density matrices also in the discrete k-space. The coefficients in an expansion of an eigenfunction to a particular operator may be determined by the variation principle, leading to the ordinary secular equation of the method of configurational interaction. It is shown that the first-order density matrix may be brought to diagonal form, which defines the "natural spin-orbitals" associated with the system. The situation is then partly characterized by the corresponding occupation numbers, which are shown to lie between 0 and 1 and to assume the value 1, only if the corresponding spin-orbital occurs in all configurations necessary for describing the situation. If the system has exactly N spin-orbitals which are fully occupied, the total wave function may be reduced to a single Slater determinant. However, due to the mutual interaction between the particles, this limiting case is never physically realized, but the introduction of natural spin-orbitals leads then instead to a configurational expansion of most rapid convergence.In case the basic set is of finite order M, the best choice of this set is determined by a form of extended Hartree-Fock equations. It is shown that, in this case, the natural spin-orbitals approximately fulfill some equations previously proposed by Slater.
Physical processes are usually described using four-dimensional vector quantities - coordinate vector, momentum vector, current vector. But at the fundamental level they are characterized by spinors - coordinate spinors, momentum spinors, spinor wave functions. The propagation of fields and their interaction takes place at the spinor level, and since each spinor uniquely corresponds to a certain vector, the results of physical processes appear before us in vector form. For example, the relativistic Schrödinger equation and the Dirac equation are formulated by means of coordinate vectors, momentum vectors and quantum operators corresponding to them. In the Schrödinger equation the wave function is represented by a single complex quantity, in the Dirac equation a step forward is taken and the wave function is a spinor with complex components, but still coordinates and momentum are vectors. For a closed description of nature using only spinor quantities, it is necessary to have an equation similar to the Dirac equation in which momentum, coordinates and operators are spinors. It is such an equation that is presented in this paper. Using the example of the interaction between an electron and an electromagnetic field, we can see that the spinor equation contains more detailed information about the interaction than the vector equations. This is not new for quantum mechanics, since it describes interactions using complex wave functions, which cannot be observed directly, and only when measured goes to probabilities in the form of squares of the moduli of the wave functions. In the same way spinor quantities are not observable, but they completely determine observable vectors. In Section 2 of the paper, we analyze the quadratic form for an arbitrary four-component complex vector based on Pauli matrices. The form is invariant with respect to Lorentz transformations including any rotations and boosts. The invariance of the form allows us to construct on its basis an equation for a free particle combining the properties of the relativistic wave equation and the Dirac equation. For an electron in the presence of an electromagnetic potential it is shown that taking into account the commutation relations between the momentum and coordinate components allows us to obtain from this equation the known results describing the interactions of the electron spin with the electric and magnetic field. In section 3 of the paper this quadratic form is expressed through momentum spinors, which makes it possible to obtain an equation for the spinor wave function in spinor coordinate space by replacing the momentum spinor components by partial derivative operators on the corresponding coordinate spinor component. Section 4 presents a modification of the theory of the path integral, which consists in considering the path integral in the spinor coordinate space. The Lagrangian densities for the scalar field and for the electron field, along with their corresponding propagators, are presented. An equation of motion for the electron is proposed that is relativistically invariant, in contrast to the Dirac equation, which lacks this invariance. This novel equation permitted the construction of an actually invariant procedure for the second quantization of the fermion field in spinor coordinate space. Furthermore, it is demonstrated that the field operators are a combination of plane waves in spinor or vector space, with the coefficients of which being pseudospinors or pseudovectors. Each of these pseudovectors or pseudospinors corresponds to one of the particles presented in the theory of electrodynamics. Furthermore, each plane wave possesses an additional coefficient in the form of a birth or annihilation operator. In vector space, these operators commute, whereas in spinor space they anticommutate. The paper presents the spinor and vector representations of the field operators in explicit form, comprising sets of 16 pseudospinors or 4 pseudovectors corresponding to particles represented in electrodynamics.
The formal mathematical structure of the truly Hamiltonian formulations of nonrelativistic and relativistic quantum mechanics is critically examined for both spin 0 and spin 12 particles with nonzero mass. It is shown that the relativistic quantum mechanics can, in principle, at least be fitted into a truly covariant Hamiltonian procedure where the Hamiltonian is a Lorentz-invariant world scalar (and is the negative of 12 the rest energy of the particle, regardless of its spin). In particular, a truly covariant Hamiltonian theory of the electron is presented. It will be seen that the Lorentz-invariant Dirac theory of the electron does not fall within the framework of a truly covariant Hamiltonian procedure. Further, the dynamical variables associated with the translational degree of freedom of the particle (such as the position, the canonical momentum, and the velocity four-vectors of the relativistic quantum mechanics) correspond precisely to the same variables of the truly covariant formulation of relativistic classical mechanics. The mathematical structure of relativistic quantum mechanics is seen to be rather similar to that of nonrelativistic quantum mechanics for both spin 0 and spin 12 particles with nonzero mass.
Physical processes are usually described using four-dimensional vector quantities - coordinate vector, momentum vector, current vector. But at the fundamental level they are characterized by spinors - coordinate spinors, momentum spinors, spinor wave functions. The propagation of fields and their interaction takes place at the spinor level, and since each spinor uniquely corresponds to a certain vector, the results of physical processes appear before us in vector form. For example, the relativistic Schrödinger equation and the Dirac equation are formulated by means of coordinate vectors, momentum vectors and quantum operators corresponding to them. In the Dirac equation a step forward is taken and the wave function is a spinor with complex components, but still coordinates and momentum are vectors. For a closed description of nature using only spinor quantities, it is necessary to have an equation similar to the Dirac equation in which momentum, coordinates and operators are spinors. It is such an equation that is presented in this paper. Using the example of the interaction between an electron and an electromagnetic field, we can see that the spinor equation contains more detailed information about the interaction than the vector equations. This is not new for quantum mechanics, since it describes interactions using complex wave functions, which cannot be observed directly, and only when measured goes to probabilities in the form of squares of the moduli of the wave functions. In the same way spinor quantities are not observable, but they completely determine observable vectors. In Section 2 of the paper, we analyze the quadratic form for an arbitrary four-component complex vector based on Pauli matrices. The form is invariant with respect to Lorentz transformations including any rotations and boosts. The invariance of the form allows us to construct on its basis an equation for a free particle combining the properties of the relativistic wave equation and the Dirac equation. For an electron in the presence of an electromagnetic potential it is shown that taking into account the commutation relations between the momentum and coordinate components allows us to obtain from this equation the known results describing the interactions of the electron spin with the electric and magnetic field. In the presence of a potential the momentum components cease to commute with each other. To neutralize this effect, the Schrödinger equation is supplemented by several equations with mixed derivatives on coordinates. In section 3 of the paper this quadratic form is expressed through momentum spinors, which makes it possible to obtain an equation for the spinor wave function in spinor coordinate space by replacing the momentum spinor components by partial derivative operators on the corresponding coordinate spinor component. Section 4 presents a modification of the theory of the path integral, which consists in considering the path integral in the spinor coordinate space. The Lagrangian densities for the scalar field and for the electron field, along with their corresponding propagators, are presented. An equation of motion for the electron is proposed that is relativistically invariant, in contrast to the Dirac equation, which lacks this invariance. This novel equation permitted the construction of an actually invariant procedure for the second quantization of the fermion field in spinor coordinate space. Furthermore, it is demonstrated that the field operators are a combination of plane waves in spinor or vector space, with the coefficients of which being pseudospinors or pseudovectors. Each of these pseudovectors or pseudospinors corresponds to one of the particles presented in the theory of electrodynamics. Furthermore, each plane wave possesses an additional coefficient in the form of a birth or annihilation operator. In vector space, these operators commute, whereas in spinor space they anticommutate. The paper presents the spinor and vector representations of the field operators in explicit form, comprising sets of 16 pseudospinors or 4 pseudovectors corresponding to particles represented in electrodynamics.