「wavefunction」の共起表現一覧(2語左で並び替え)
該当件数 : 19件
| is doubly occupied, which leads to a total | wavefunction of |
| n through a process intimately connected to | wavefunction collapse in a quantum measurement. |
| identical to its corresponding all-electron | wavefunction. |
| ge, sometimes even faster than BFGS, due to | wavefunction extrapolation. |
| The ground state | wavefunction for H2 at the equilibrium geometry is domin |
| density (rather than through its many-body | wavefunction). |
| gh definition, by the normalized N-electron | wavefunction which itself depends upon 4N variables (3N |
| acting on the | wavefunction (the probability amplitude for different co |
| terms of the energy operator, acting on the | wavefunction of the system. |
| expectation value of the operator over the | wavefunction. |
| lectrons are described by a single coherent | wavefunction, proportional to exp(-iφ), where φ is known |
| The permutational antisymmetry of the H2 | wavefunction (protons are fermions) imposes restrictions |
| e a0 is the coefficient of the Hartree-Fock | wavefunction in the CISD expansion, ECISD and EHF are th |
| early equal to the energy of the zero-order | wavefunction. |
| magnitude or modulus) of the complex-valued | wavefunction. |
| ssion for the first-order correction to the | wavefunction is therefore |
| cation of the antiunitary T-operator to the | wavefunction of an odd number of electrons. |
| or some theories they are the same when the | wavefunction is converged. |
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