H2+ molecular ion in a strong magnetic field: Ground state

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 68, Issue 1, 2003, Pages

  Turbiner, A V ^a,b   Lopez Vieyra J C ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b INSTITUTE FOR THEORETICAL AND EXPERIMENTAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; GROUND STATE; HYDROGEN; IONS; MAGNETIC FIELD EFFECTS; MOLECULAR PHYSICS; PHASE TRANSITIONS; PROTONS;

BORN-OPPENHEIMER APPROXIMATION; MOLECULAR ION; OPTIMAL GAUGE FIXING;

QUANTUM THEORY;

EID: 0141573195     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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43. After a straightforward separation of the spin part of wave function, the original Schrödinger equation becomes a scalar Schrödinger equation. It can then be stated that a nodeless eigenfunction corresponds to the ground state (Perron theorem).
44. 9 G. Thus, in making a comparison of the results obtained by different authors this fact should be taken into account.
45. For a review of different optimization procedures of the vector potential see, for instance, Ref. [18] and references therein.
46. This is the case whenever the magnetic field is directed along the molecular axis (parallel configuration).
47. This can be formulated as a problem-for a fixed value of B and a given inclination, find a gauge for which the ground-state eigenfunction is real.
48. At θ = 0° (parallel configuration) the vector potential (2) remains unchanged, since ζ = 1/2.
49. The value of ζ grows with B [see Figs. 7(a) and 7(b) and below Tables II and III].
50. It is worth mentioning that for B = 1 a.u. and R = 2 a.u. our results are in good agreement with the accurate study performed in Ref. [30].
51. ζ = 0.5 at B = 0.